Basic information
- CAS
20867-46-3- Standard SMILES
CC(=O)OC1CCC2(C)C(=C(C)CC3C4CC=C(C(C)=O)C4(C)CCC32)C1- InChIKey
FIFCOJHNNZMPQU-UHFFFAOYSA-N- Molecular formula
- C24H34O3
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.25079494
Names & identifiers
- Preferred name
- 6-Methyl-20-oxopregna-5,16-dien-3-yl acetate
- IUPAC
- (17-acetyl-6,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
- English name
- 3beta-Hydroxy-6-methyl-5,16-pregnadien-20-one acetate
- Molecular formula
- C24H34O3
- Molecular weight
- 370.52
Names & synonyms
6-methyl-20-oxopregna-5,16-dien-3-yl acetateDTXSID209431226-METHYLPREGNADIENOLONE ACETATEAKOS024429233Einecs 244-091-76-METHYL-16-DEHYDROPREGNENOLONE ACETATEMETHYL-16-DEHYDROPREGNENOLONE ACETATE, 6-3β-Acetyloxy-6-methylpregna-5,16-dien-20-one6-Methyl-20-oxopregna-5,16-dien-3β-ol acetate6-methyl-20-oxopregna-5,16-dien-3-beta-yl acetate3beta-Hydroxy-6-methyl-5,16-pregnadien-20-one acetatePregna-5,16-dien-20-one, 3-(acetyloxy)-6-methyl-, (3β)-
Database identifiers
- CAS
20867-46-3- PubChem CID
- 89398
- DTXSID
DTXSID20943122
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 745
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
HONEST JOY HOLDINGS LIMITED[email protected]
Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
SEQUOIA[email protected]
CHROMADEX[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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