3β-Acetoxy-5α-androstan-17-one
Properties
- Molecular formula
- C21H32O3
- Molar mass
- 332.48 g/mol
- Exact mass
- 332.2351 Da
- Melting point
- 103–104 °C
- logP
- 4.53Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
- Stereocentres
- S, S, S, R, S, S, Sin SMILES atom order
Hazards
Warning
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H351 Suspected of causing cancer100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, P501
Identifiers
CAS number
1239-31-2SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1InChIKey
FDCINQSOYQUNKB-HGDYXINXSA-NInChI
InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,20-,21-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- NSC 120612
- Androstan-17-one, 3-(acetyloxy)-, (3β,5α)-
- 5α-Androstan-17-one, 3β-hydroxy-, acetate
- (3β,5α)-3-(Acetyloxy)androstan-17-one
- Epiandrosterone acetate
- 5α-Androstan-3β-acetoxy-17-one
- Epi-Androsterone acetate
- Isoandrosterone acetate
- 5α-Androstan-3β-ol-17-one acetate
- 17-Oxo-5α-androstan-3β-yl acetate
- 3β-Acetoxyepiandrosterone
- 3Beta-Acetoxy-5alpha-androstan-17-one
Work with 3β-Acetoxy-5α-androstan-17-one
Similar compounds
3-Acetyloxypregn-16-en-20-one1169-20-665 % similar
Epiandrosterone481-29-865 % similar
Androsterone53-41-865 % similar
Etiocholanolone53-42-965 % similar
Androstanedione846-46-858 % similar
3β-Acetoxyandrost-5-en-17-one853-23-658 % similar
5α-Androst-2-en-17-one963-75-754 % similar
7-Oxodehydroepiandrosterone 3-acetate1449-61-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.