(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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Identifiers
Molecular formula
C30H50OSMILES
CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
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Odor profile
Fragrance Woody 89.47% Amber 53.11% Sandalwood 51.66% Dry 47.48% Sweet 41.6% Cedar 38.05% Balsamic 37.48% Musk 37.2% Vetiver 35.29% Powdery 34.94% Flavor Woody 72.43% Sweet 43.27% Wood 41.92% Balsam 38.35% Pine 36.91% Dry 33.7% Camphor 33.47% Balsamic 29.75% Fresh 28.25% Spice 27.41% Odor impact est.
Low -
Properties
XLogP3-AA
8.9pKa est.
7.67 (neutral)Molecular weight
426.7 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
506°CFlash point
- 212.14 ˚C est.
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Synonyms
- SCHEMBL26859772
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Applications
For the compound (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, real-world applications are typically centered on its role as an intermediate in steroid synthesis and as a chiral building block for pharmaceutical research, development, and API manufacture. It may also be explored in fragrance and cosmetic research as a potential fragrance intermediate or precursor to aroma chemistry given its steroidal framework and terpenoid-like side chain. The compound could serve as a scaffold for specialty materials or further steroid-based chemistry in the industrial sector, and is sometimes studied in agricultural research as a lead for plant-growth-regulator-type investigations; all applications are subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 7.03 methanol 1.88 isopropanol 6.64 water 0.02 ethyl acetate 12.21 n-propanol 11.07 acetone 11.01 n-butanol 14.46 acetonitrile 1.83 DMF 15.14 toluene 27.93 isobutanol 9.7 1,4-dioxane 27.43 methyl acetate 6.95 THF 45.95 2-butanone 14.01 n-pentanol 10.39 sec-butanol 5.87 n-hexane 1.74 ethylene glycol 0.38 NMP 25.49 cyclohexane 1.99 DMSO 4.38 n-butyl acetate 17.44 n-octanol 9.09 chloroform 34.38 n-propyl acetate 10.66 acetic acid 4.4 dichloromethane 18.05 cyclohexanone 27.18 propylene glycol 1.03 isopropyl acetate 17.11 DMAc 28.89 2-ethoxyethanol 12.4 isopentanol 15.23 n-heptane 2.09 ethyl formate 3.45 1,2-dichloroethane 11.73 n-hexanol 14.72 2-methoxyethanol 12.17 isobutyl acetate 14.08 tetrachloromethane 7.88 n-pentyl acetate 24.91 transcutol 59.21 n-heptanol 15.54 ethylbenzene 11.98 MIBK 19.87 2-propoxyethanol 35.86 tert-butanol 7.09 MTBE 12.71 2-butoxyethanol 33.44 propionic acid 4.48 o-xylene 15.27 formic acid 1.05 diethyl ether 16.58 m-xylene 22.17 p-xylene 13.29 chlorobenzene 19.25 dimethyl carbonate 6.67 n-octane 0.67 formamide 1.59 cyclopentanone 27.35 2-pentanone 18.2 anisole 24.69 cyclopentyl methyl ether 26.42 gamma-butyrolactone 18.71 1-methoxy-2-propanol 18.49 pyridine 26.5 3-pentanone 15.41 furfural 17.12 n-dodecane 0.32 diethylene glycol 9.67 diisopropyl ether 8.76 tert-amyl alcohol 6.25 acetylacetone 20.41 n-hexadecane 0.41 acetophenone 19.7 methyl propionate 12.46 isopentyl acetate 25.26 trichloroethylene 28.4 n-nonanol 11.74 cyclohexanol 9.75 benzyl alcohol 13.19 2-ethylhexanol 12.38 isooctanol 14.89 dipropyl ether 19.24 1,2-dichlorobenzene 18.65 ethyl lactate 5.99 propylene carbonate 11.29 n-methylformamide 3.8 2-pentanol 9.38 n-pentane 1.93 1-propoxy-2-propanol 30.98 1-methoxy-2-propyl acetate 34.91 2-(2-methoxypropoxy) propanol 27.17 mesitylene 13.12 ε-caprolactone 24.79 p-cymene 11.39 epichlorohydrin 23.53 1,1,1-trichloroethane 16.33 2-aminoethanol 2.07 morpholine-4-carbaldehyde 33.45 sulfolane 18.16 2,2,4-trimethylpentane 1.44 2-methyltetrahydrofuran 21.57 n-hexyl acetate 24.31 isooctane 1.61 2-(2-butoxyethoxy)ethanol 35.42 sec-butyl acetate 12.15 tert-butyl acetate 23.57 decalin 2.0 glycerin 2.14 diglyme 57.58 acrylic acid 3.31 isopropyl myristate 10.19 n-butyric acid 12.05 acetyl acetate 10.14 di(2-ethylhexyl) phthalate 13.8 ethyl propionate 11.62 nitromethane 6.01 1,2-diethoxyethane 24.16 benzonitrile 10.77 trioctyl phosphate 8.92 1-bromopropane 10.36 gamma-valerolactone 44.37 n-decanol 7.12 triethyl phosphate 10.87 4-methyl-2-pentanol 9.77 propionitrile 5.22 vinylene carbonate 11.53 1,1,2-trichlorotrifluoroethane 14.49 DMS 14.65 cumene 9.56 2-octanol 8.34 2-hexanone 14.44 octyl acetate 11.68 limonene 11.65 1,2-dimethoxyethane 25.09 ethyl orthosilicate 13.72 tributyl phosphate 8.12 diacetone alcohol 19.21 N,N-dimethylaniline 21.09 acrylonitrile 4.51 aniline 17.96 1,3-propanediol 5.79 bromobenzene 23.37 dibromomethane 13.53 1,1,2,2-tetrachloroethane 24.4 2-methyl-cyclohexyl acetate 20.4 tetrabutyl urea 13.01 diisobutyl methanol 9.61 2-phenylethanol 22.83 styrene 12.59 dioctyl adipate 15.47 dimethyl sulfate 9.44 ethyl butyrate 15.68 methyl lactate 6.03 butyl lactate 18.38 diethyl carbonate 9.52 propanediol butyl ether 16.79 triethyl orthoformate 19.68 p-tert-butyltoluene 11.92 methyl 4-tert-butylbenzoate 34.62 morpholine 29.83 tert-butylamine 5.98 n-dodecanol 4.27 dimethoxymethane 22.89 ethylene carbonate 9.98 cyrene 21.72 2-ethoxyethyl acetate 33.65 2-ethylhexyl acetate 21.94 1,2,4-trichlorobenzene 24.73 4-methylpyridine 27.56 dibutyl ether 9.77 2,6-dimethyl-4-heptanol 9.61 DEF 18.08 dimethyl isosorbide 46.27 tetrachloroethylene 16.8 eugenol 32.51 triacetin 24.5 span 80 22.95 1,4-butanediol 2.34 1,1-dichloroethane 12.08 2-methyl-1-pentanol 11.47 methyl formate 2.57 2-methyl-1-butanol 12.19 n-decane 0.97 butyronitrile 7.22 3,7-dimethyl-1-octanol 10.39 1-chlorooctane 5.2 1-chlorotetradecane 1.35 n-nonane 0.8 undecane 0.52 tert-butylcyclohexane 2.18 cyclooctane 1.19 cyclopentanol 7.52 tetrahydropyran 26.37 tert-amyl methyl ether 11.01 2,5,8-trioxanonane 37.17 1-hexene 5.65 2-isopropoxyethanol 13.22 2,2,2-trifluoroethanol 2.34 methyl butyrate 11.81 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |