Basic information
- CAS
565-99-1- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
DUHUCHOQIDJXAT-CSXWOMMHSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- (3alpha,5beta)-3-Hydroxypregnane-11,20-dione
- IUPAC
- (3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
- English name
- Renanolone
- Molecular formula
- C21H32O3
- Molecular weight
- 332.481
Names & synonyms
Renanolone565-99-1D8Z6E4IR2JNSC-82859RefChem:1050135(3alpha,5beta)-3-hydroxypregnane-11,20-dione17-Acetyl-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta(a)phenanthren-11-one11-Ketopregnanolone11-OxopregnanoloneRenanolone [INN]Renanolona3alpha-Hydroxy-5beta-pregnane-11,20-dione
Show more names
U1894U-1894U 18945β-Alphaxalone3B-Hydroxy-5B-pregnane-11,20-dione(3R,5R,8S,9S,10S,13S,14S,17S)-17-ethanoyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
(3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one3alpha-Hydroxy-5beta-pregnane-11,10-dione3.alpha.-Hydroxy-5.beta.-pregnane-11,20-dione5-beta-AlphaxaloneRenanolonumRenanolonum [INN-Latin]Renanolona [INN-Spanish]MLS002694508
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Experimental & physicochemical properties
LogP3.28
Physicochemical properties
- FDA UNII
- 8 Z6E4IR2J · D8Z6E4IR2J
Chemistry & industry
Suppliers2 total
江苏万思普科技有限公司17826022701 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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