28-(2-Methylpropyl)-14,15,16,17-tetradehydroveratraman-3,23-diol--hydrogen chloride (1/1)
Basic information
- CAS
105043-88-7- Standard SMILES
Cc1c([C@H](C)[C@H]2[C@H](O)C[C@H](C)CN2CC(C)C)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C.Cl- InChIKey
YKQCHRHLKZOTBF-FFRVBXERSA-N- Molecular formula
- C31H48ClNO2
- Average molar mass
- 502.2 g/mol
- Monoisotopic mass
- 501.3373575
Names & identifiers
- Preferred name
- 28-(2-Methylpropyl)-14,15,16,17-tetradehydroveratraman-3,23-diol--hydrogen chloride (1/1)
- IUPAC
- (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methyl-1-(2-methylpropyl)piperidin-3-ol;hydrochloride
Names & synonyms
105043-88-7DTXSID1090931328-(2-Methylpropyl)-14,15,16,17-tetradehydroveratraman-3,23-diol--hydrogen chloride (1/1)RefChem:1064934DTXCID701338376N-Isobutylveratramine hydrochlorideVeratramine, N-isobutyl-, hydrochloride(23R)-28-(2-Methylpropyl)-14,15,16,17-tetradehydroveratraman-3beta,23-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
105043-88-7- PubChem CID
- 3064576
- DTXSID
DTXSID10909313
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 763
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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