Công thức phân tử
C21H30O2

SMILES
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

Nhãn an toàn

Hương thơm
Gỗ	86.19%
Tuyết tùng	50.27%
Hổ phách	48.4%
Trái cây	46.98%
Khô	44.14%
Rễ diên vĩ	42.36%
Xạ	38.74%
Thuốc lá	35.3%
Hoa	34.25%
Phấn	31.99%

 

Hương vị
Minty	34.02%
Fruity	29.64%
Sweet	27.21%
Spicy	24.98%
Mint	24.15%
Fresh	24.07%
Herbal	24.04%
Woody	23.03%
Spice	22.22%
Camphor	21.93%

 

Cường độ mùi ước lượng
Thấp

XLogP3-AA
3.9

pKa ước lượng
7.32 (trung tính)

Khối lượng phân tử
314.5 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Cực chậm

Điểm sôi ước lượng
428°C

Điểm chớp cháy

• 206.68 ˚C ước lượng

• 1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
• 1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-one
• NCIOpen2_008018
• CHEMBL125608
• SCHEMBL5021330
• CHEBI:181131
• RJKFOVLPORLFTN-UHFFFAOYSA-N
• ALBB-025008
• CAA75510
• BBL005654
• STK374710
• AKOS005447502
• NCGC00015785-03
• NCGC00015785-05
• NCGC00015785-06
• NCGC00015785-07
• NCGC00015785-09
• 17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• VS-01588
• AB01321445-02
• 9-BETA,10-ALPHA-PREGN-4-ENE-3,20-DIONE
• 112-169-9

1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS number: ) chủ yếu được xem là một chất trung gian trong tổng hợp dược phẩm, đặc biệt để xây dựng các steroid và các hợp chất polycyclic phức tạp; nó cũng được dùng như khối xây dựng trong tổng hợp hữu cơ cho các dẫn xuất steroid; ngoài ra còn được xem xét như một tiền chất cho hoạt động nghiên cứu và phát triển dược chất và có thể được đánh giá cho các ứng dụng liên quan đến tổng hợp steroid trong công nghiệp.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	66.77
methanol	67.33
isopropanol	53.8
water	0.39
ethyl acetate	107.71
n-propanol	72.42
acetone	180.82
n-butanol	76.23
acetonitrile	122.84
DMF	177.04
toluene	399.21
isobutanol	44.88
1,4-dioxane	314.1
methyl acetate	71.45
THF	485.34
2-butanone	101.19
n-pentanol	21.74
sec-butanol	19.72
n-hexane	1.48
ethylene glycol	9.16
NMP	71.59
cyclohexane	15.9
DMSO	59.12
n-butyl acetate	56.77
n-octanol	8.57
chloroform	442.21
n-propyl acetate	43.72
acetic acid	42.92
dichloromethane	269.26
cyclohexanone	196.26
propylene glycol	11.07
isopropyl acetate	95.32
DMAc	99.7
2-ethoxyethanol	50.61
isopentanol	54.95
n-heptane	1.54
ethyl formate	44.11
1,2-dichloroethane	161.16
n-hexanol	35.14
2-methoxyethanol	138.44
isobutyl acetate	40.98
tetrachloromethane	39.34
n-pentyl acetate	36.06
transcutol	224.95
n-heptanol	17.51
ethylbenzene	49.72
MIBK	80.09
2-propoxyethanol	123.59
tert-butanol	42.72
MTBE	29.19
2-butoxyethanol	57.48
propionic acid	35.26
o-xylene	92.39
formic acid	17.66
diethyl ether	85.58
m-xylene	154.59
p-xylene	58.36
chlorobenzene	171.93
dimethyl carbonate	60.72
n-octane	0.63
formamide	42.14
cyclopentanone	222.06
2-pentanone	114.71
anisole	99.56
cyclopentyl methyl ether	135.42
gamma-butyrolactone	183.44
1-methoxy-2-propanol	128.03
pyridine	321.24
3-pentanone	82.49
furfural	163.96
n-dodecane	0.59
diethylene glycol	86.28
diisopropyl ether	21.5
tert-amyl alcohol	14.09
acetylacetone	164.73
n-hexadecane	0.76
acetophenone	77.08
methyl propionate	88.35
isopentyl acetate	64.19
trichloroethylene	312.69
n-nonanol	10.17
cyclohexanol	61.32
benzyl alcohol	71.23
2-ethylhexanol	18.52
isooctanol	16.07
dipropyl ether	29.22
1,2-dichlorobenzene	117.27
ethyl lactate	28.57
propylene carbonate	84.98
n-methylformamide	84.05
2-pentanol	29.23
n-pentane	3.52
1-propoxy-2-propanol	75.59
1-methoxy-2-propyl acetate	121.23
2-(2-methoxypropoxy) propanol	52.03
mesitylene	60.08
ε-caprolactone	125.96
p-cymene	23.29
epichlorohydrin	246.24
1,1,1-trichloroethane	131.24
2-aminoethanol	27.99
morpholine-4-carbaldehyde	163.49
sulfolane	110.41
2,2,4-trimethylpentane	1.31
2-methyltetrahydrofuran	119.18
n-hexyl acetate	35.82
isooctane	1.85
2-(2-butoxyethoxy)ethanol	71.63
sec-butyl acetate	39.89
tert-butyl acetate	82.0
decalin	3.98
glycerin	25.61
diglyme	152.0
acrylic acid	32.42
isopropyl myristate	17.81
n-butyric acid	83.66
acetyl acetate	90.32
di(2-ethylhexyl) phthalate	26.0
ethyl propionate	49.04
nitromethane	107.63
1,2-diethoxyethane	63.95
benzonitrile	117.35
trioctyl phosphate	15.09
1-bromopropane	79.03
gamma-valerolactone	316.08
n-decanol	7.43
triethyl phosphate	27.76
4-methyl-2-pentanol	25.2
propionitrile	124.0
vinylene carbonate	104.78
1,1,2-trichlorotrifluoroethane	101.11
DMS	61.98
cumene	25.32
2-octanol	8.03
2-hexanone	36.88
octyl acetate	18.74
limonene	22.35
1,2-dimethoxyethane	105.15
ethyl orthosilicate	26.69
tributyl phosphate	17.79
diacetone alcohol	73.08
N,N-dimethylaniline	49.03
acrylonitrile	146.77
aniline	210.97
1,3-propanediol	68.71
bromobenzene	186.14
dibromomethane	170.5
1,1,2,2-tetrachloroethane	232.12
2-methyl-cyclohexyl acetate	45.69
tetrabutyl urea	23.63
diisobutyl methanol	15.9
2-phenylethanol	82.69
styrene	64.05
dioctyl adipate	29.1
dimethyl sulfate	63.9
ethyl butyrate	46.32
methyl lactate	44.41
butyl lactate	35.29
diethyl carbonate	35.45
propanediol butyl ether	34.56
triethyl orthoformate	40.45
p-tert-butyltoluene	22.18
methyl 4-tert-butylbenzoate	60.27
morpholine	276.84
tert-butylamine	25.11
n-dodecanol	5.51
dimethoxymethane	220.6
ethylene carbonate	95.66
cyrene	60.15
2-ethoxyethyl acetate	78.51
2-ethylhexyl acetate	46.32
1,2,4-trichlorobenzene	131.49
4-methylpyridine	289.03
dibutyl ether	13.29
2,6-dimethyl-4-heptanol	15.9
DEF	72.14
dimethyl isosorbide	105.89
tetrachloroethylene	140.53
eugenol	64.7
triacetin	59.55
span 80	39.31
1,4-butanediol	14.96
1,1-dichloroethane	151.35
2-methyl-1-pentanol	18.28
methyl formate	52.63
2-methyl-1-butanol	33.65
n-decane	1.11
butyronitrile	100.07
3,7-dimethyl-1-octanol	13.52
1-chlorooctane	6.37
1-chlorotetradecane	2.6
n-nonane	0.84
undecane	0.77
tert-butylcyclohexane	2.65
cyclooctane	3.76
cyclopentanol	51.7
tetrahydropyran	246.67
tert-amyl methyl ether	16.98
2,5,8-trioxanonane	94.38
1-hexene	8.19
2-isopropoxyethanol	37.44
2,2,2-trifluoroethanol	24.7
methyl butyrate	51.95

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