(3Ar,3bs,5as,6s,7r,8as,8br)-6-acetyl-6,7-dihydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one
Basic information
- CAS
800-01-1- Standard SMILES
CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
WOIDUWLJOGWADE-KOGWCRERSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Names & identifiers
- Preferred name
- (3Ar,3bs,5as,6s,7r,8as,8br)-6-acetyl-6,7-dihydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one
- IUPAC
- (3aR,3bS,5aS,6S,7R,8aS,8bR)-6-acetyl-6,7-dihydroxy-3a,5a-dimethyl-3,3b,4,5,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-one
Names & synonyms
800-01-1NSC68283(3ar,3bs,5as,6s,7r,8as,8br)-6-acetyl-6,7-dihydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-oneDTXSID10290359NSC-68283
Database identifiers
- CAS
800-01-1- PubChem CID
- 249701
- DTXSID
DTXSID10290359
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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