Công thức phân tử
C28H44O

SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@@H]1CC[C@H]2[C@]1(CC[C@@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Hương thơm
Gỗ	83.68%
Gỗ đàn hương	54.13%
Hổ phách	40.4%
Nhựa thơm	39.29%
Khô	35.93%
Cỏ hương bài	34.38%
Cay	34.12%
Tuyết tùng	32.57%
Dầu	31.64%
Sáp	29.99%

 

Hương vị
Woody	57.84%
Wood	47.63%
Herbal	45.12%
Herb	42.35%
Spice	37.34%
Terpene	25.43%
Waxy	24.61%
Turpentine	24.32%
Balsam	23.47%
Citrus	23.07%

 

Cường độ mùi ước lượng
Thấp

XLogP3-AA
7.4

pKa ước lượng
7.44 (trung tính)

Khối lượng phân tử
396.6 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Rất chậm

Điểm sôi ước lượng
480°C

Điểm chớp cháy

• 218.09 ˚C ước lượng

• NCI62791

Đây là (3S,9R,10R,13S,14S,17S)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, một steroidal alcohol có khung cyclopenta[a]phenanthren và chuỗi phụ isoprenyl, được xem như một nguyên liệu trung gian tổng hợp steroid trong dược phẩm; có thể làm khung phân tử cho các dẫn xuất hormone steroid hoặc corticosteroid; được đánh giá như một thành phần nền lipophilic cho mỹ phẩm hoặc làm cơ sở cho các hợp chất hương liệu; trong công nghiệp, có thể dùng làm nền phát triển polymers đặc biệt hoặc chất ổn định cho lớp phủ; trong nông nghiệp, được nghiên cứu như cơ sở cho chất kích thích sinh trưởng thực vật hoặc dẫn xuất agrochemical.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	10.52
methanol	2.05
isopropanol	9.77
water	0.02
ethyl acetate	25.0
n-propanol	13.97
acetone	16.41
n-butanol	21.96
acetonitrile	1.83
DMF	10.4
toluene	67.42
isobutanol	12.57
1,4-dioxane	49.4
methyl acetate	10.43
THF	72.35
2-butanone	24.09
n-pentanol	14.3
sec-butanol	8.27
n-hexane	4.06
ethylene glycol	0.28
NMP	18.82
cyclohexane	7.43
DMSO	5.19
n-butyl acetate	37.12
n-octanol	13.18
chloroform	66.08
n-propyl acetate	19.52
acetic acid	4.25
dichloromethane	33.73
cyclohexanone	45.46
propylene glycol	0.84
isopropyl acetate	34.5
DMAc	28.53
2-ethoxyethanol	16.09
isopentanol	24.05
n-heptane	5.44
ethyl formate	4.84
1,2-dichloroethane	23.49
n-hexanol	26.2
2-methoxyethanol	14.49
isobutyl acetate	26.02
tetrachloromethane	12.67
n-pentyl acetate	39.86
transcutol	146.9
n-heptanol	20.09
ethylbenzene	25.49
MIBK	35.65
2-propoxyethanol	48.83
tert-butanol	10.25
MTBE	28.4
2-butoxyethanol	40.95
propionic acid	4.56
o-xylene	31.85
formic acid	0.86
diethyl ether	41.58
m-xylene	44.93
p-xylene	25.11
chlorobenzene	31.98
dimethyl carbonate	7.76
n-octane	1.61
formamide	1.37
cyclopentanone	35.7
2-pentanone	33.33
anisole	41.79
cyclopentyl methyl ether	46.22
gamma-butyrolactone	21.35
1-methoxy-2-propanol	21.29
pyridine	39.73
3-pentanone	28.08
furfural	19.37
n-dodecane	0.91
diethylene glycol	11.27
diisopropyl ether	19.35
tert-amyl alcohol	9.08
acetylacetone	33.63
n-hexadecane	1.14
acetophenone	30.95
methyl propionate	18.81
isopentyl acetate	51.88
trichloroethylene	49.09
n-nonanol	17.37
cyclohexanol	16.77
benzyl alcohol	18.73
2-ethylhexanol	23.0
isooctanol	20.87
dipropyl ether	40.35
1,2-dichlorobenzene	29.83
ethyl lactate	8.6
propylene carbonate	14.49
n-methylformamide	2.75
2-pentanol	15.16
n-pentane	5.04
1-propoxy-2-propanol	45.34
1-methoxy-2-propyl acetate	62.71
2-(2-methoxypropoxy) propanol	43.03
mesitylene	26.63
ε-caprolactone	40.16
p-cymene	21.47
epichlorohydrin	34.43
1,1,1-trichloroethane	29.59
2-aminoethanol	1.53
morpholine-4-carbaldehyde	34.78
sulfolane	19.77
2,2,4-trimethylpentane	3.1
2-methyltetrahydrofuran	38.59
n-hexyl acetate	40.51
isooctane	3.28
2-(2-butoxyethoxy)ethanol	58.41
sec-butyl acetate	24.28
tert-butyl acetate	43.23
decalin	4.84
glycerin	1.82
diglyme	98.0
acrylic acid	2.88
isopropyl myristate	19.68
n-butyric acid	16.82
acetyl acetate	18.29
di(2-ethylhexyl) phthalate	20.49
ethyl propionate	20.76
nitromethane	5.61
1,2-diethoxyethane	59.26
benzonitrile	14.62
trioctyl phosphate	13.51
1-bromopropane	25.86
gamma-valerolactone	56.99
n-decanol	11.7
triethyl phosphate	19.81
4-methyl-2-pentanol	17.53
propionitrile	6.09
vinylene carbonate	14.37
1,1,2-trichlorotrifluoroethane	17.91
DMS	22.08
cumene	18.05
2-octanol	12.13
2-hexanone	24.55
octyl acetate	21.25
limonene	23.43
1,2-dimethoxyethane	37.52
ethyl orthosilicate	25.0
tributyl phosphate	13.48
diacetone alcohol	28.93
N,N-dimethylaniline	31.72
acrylonitrile	4.63
aniline	30.7
1,3-propanediol	6.35
bromobenzene	42.41
dibromomethane	29.58
1,1,2,2-tetrachloroethane	43.23
2-methyl-cyclohexyl acetate	36.67
tetrabutyl urea	19.91
diisobutyl methanol	18.19
2-phenylethanol	35.14
styrene	25.28
dioctyl adipate	26.74
dimethyl sulfate	9.56
ethyl butyrate	33.16
methyl lactate	6.77
butyl lactate	25.45
diethyl carbonate	19.74
propanediol butyl ether	19.71
triethyl orthoformate	37.63
p-tert-butyltoluene	20.55
methyl 4-tert-butylbenzoate	45.4
morpholine	45.49
tert-butylamine	9.4
n-dodecanol	7.95
dimethoxymethane	29.74
ethylene carbonate	14.12
cyrene	26.62
2-ethoxyethyl acetate	57.13
2-ethylhexyl acetate	45.75
1,2,4-trichlorobenzene	37.92
4-methylpyridine	44.08
dibutyl ether	22.37
2,6-dimethyl-4-heptanol	18.19
DEF	25.79
dimethyl isosorbide	67.74
tetrachloroethylene	29.48
eugenol	41.12
triacetin	39.1
span 80	33.84
1,4-butanediol	2.15
1,1-dichloroethane	23.3
2-methyl-1-pentanol	17.85
methyl formate	2.06
2-methyl-1-butanol	19.38
n-decane	2.35
butyronitrile	10.27
3,7-dimethyl-1-octanol	18.76
1-chlorooctane	10.27
1-chlorotetradecane	3.34
n-nonane	1.92
undecane	1.38
tert-butylcyclohexane	4.47
cyclooctane	3.77
cyclopentanol	9.04
tetrahydropyran	59.29
tert-amyl methyl ether	21.89
2,5,8-trioxanonane	62.36
1-hexene	11.73
2-isopropoxyethanol	19.06
2,2,2-trifluoroethanol	2.16
methyl butyrate	20.13

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