Basic information
- CAS
64047-51-4- Standard SMILES
CC(=O)O.CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CC[C@]12O[C@@H]1CC(C)CN[C@H]1C2C- InChIKey
JEDVQALXWXZHFN-PWXALBKFSA-N- Molecular formula
- C29H43NO5
- Average molar mass
- 485.7 g/mol
- Monoisotopic mass
- 485.31412347
Names & identifiers
- Preferred name
- Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)
- IUPAC
- (3'aS,7'aR,9R)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one;acetic acid
Names & synonyms
DTXSID7098222864047-51-4Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)Acetic acid--(8xi,9xi,10xi,22S,23R,25xi)-3-hydroxy-14xi,20xi-17,23-epoxyveratraman-11-one (1/1)
Database identifiers
- CAS
64047-51-4- PubChem CID
- 46704
- DTXSID
DTXSID70982228
Properties
Computed structural properties
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 907
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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