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Basic information
- CAS
2394-44-7- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32)C1- InChIKey
GFHOQCXDABGYAL-UHFFFAOYSA-N- Molecular formula
- C23H36O3
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.26644501
Names & identifiers
- Preferred name
- 20-Oxopregnan-3-yl acetate
- IUPAC
- (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Names & synonyms
3-alfa-Acetyloxypregnan-20-one2394-44-765556-92-5906-83-2Allopregnanolone acetate20-Oxopregnan-3-yl acetatePregnan-3.beta.-ol-20-one acetate3alpha-Acetyloxy-5alpha-pregnan-20-one5|A-Pregnan-3|A-ol-20-one 3|A-acetate20-OXO-5-BETA-PREGNAN-3-BETA-YL ACETATESCHEMBL19733059DTXSID30946760
Show more names
5.beta.-Pregnan-20-one, acetate(2S,7S,15S)-14-Acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl acetateNSC166497NSC-1664975alpha-PREGNAN-3beta-OL-20-ONE-3beta-ACETATE20-Oxopregnan-3-yl acetate, pregnan-20-one, 3-(acetyloxy)-, 5-BETA-PREGNAN,20-ONE,3-ALPHA-YL-ACETATE, 906-83-2, InChI=1/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H
Database identifiers
- CAS
2394-44-7- PubChem CID
- 296381
- DTXSID
DTXSID30946760- EC Number
- 149-048-5
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 598
Related reactions
4 records
Compound notes
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