7-Oxodehydroepiandrosterone 3-acetate
Properties
- Molecular formula
- C21H28O4
- Molar mass
- 344.45 g/mol
- Exact mass
- 344.1988 Da
- logP
- 3.63Crippen estimate
- Polar surface area
- 60.4 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 1
- Stereocentres
- S, R, S, S, S, Rin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1449-61-2SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CCC4=O)C)CInChIKey
VVSMJVQHDZUPIL-XFKPDKBWSA-NInChI
InChI=1S/C21H28O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,19H,4-10H2,1-3H3/t14-,15-,16-,19-,20-,21-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Androst-5-en-3-ol-7,17-dione acetate
Work with 7-Oxodehydroepiandrosterone 3-acetate
Similar compounds
3β-Acetoxyandrost-5-en-17-one853-23-669 % similar
7-Keto-dehydroepiandrosterone566-19-865 % similar
Androsta-3,5-diene-7,17-dione1420-49-152 % similar
3β-Acetoxy-5α-androstan-17-one1239-31-252 % similar
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate114611-53-948 % similar
16-Dehydropregnenolone acetate979-02-248 % similar
Sodium prasterone sulfate1099-87-246 % similar
Pregnenolone acetate1778-02-546 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds