Basic information
- CAS
18189-68-9- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)[C@H]5[C@H](OC(C)=O)C[C@H](C)CN5C(C)=O)C(C)=C4C[C@@H]32)C1- InChIKey
SIGRSVOWFCMAHQ-WYHNMDDKSA-N- Molecular formula
- C33H49NO5
- Average molar mass
- 539.7 g/mol
- Monoisotopic mass
- 539.36107366
Names & identifiers
- Preferred name
- (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)
- IUPAC
- [(3S,6aS,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,6b,7,8,9,11,11a-dodecahydrobenzo[a]fluoren-3-yl] acetate
Names & synonyms
18189-68-9(3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)3beta,23-N-TriacetylveratramineDTXSID2093950528-Acetylveratraman-3,23-diyl diacetate(23R)-28-Acetyl-3beta-veratraman-3,23-diyl diacetateVeratraman-3,23-diol, 28-acetyl-, diacetate (ester), (3beta,23beta)-
Database identifiers
- CAS
18189-68-9- PubChem CID
- 167697
- DTXSID
DTXSID20939505
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…