Hupehenisine
Basic information
- CAS
105814-56-0- Standard SMILES
CC1=C2C(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C- InChIKey
YQGYDJYDIWCHOB-YPPUOXSUSA-N- Molecular formula
- C27H41NO3
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.30864417
Overview
See also: Hupehenisine (annotation moved to).
Names & identifiers
- Preferred name
- Hupehenisine
- IUPAC
- (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
- English name
- hupehenisine
- Molecular formula
- C27H41NO3
- Molecular weight
- 427.61934
Names & synonyms
Hupehenisine105814-56-0HupehanisineDIHYDROJERVINE(-)-Hupehenisineorb2893551CHEMBL2296486DTXSID5090975122,27-Imino-17,23-ozido-5,6-dihydrojerv-12-en-11-oxo-3-olMSK162588TN8475(3beta,5alpha,23beta)-17,23-Epoxy-5,6-dihydro-3-hydroxyveratraman-11-one
Show more names
3-Hydroxy-5,6-dihydro-17,23-epoxyveratraman-11-one(22S,23R)-3beta-Hydroxy-5alpha,17beta-5,6-dihydro-17,23-epoxyveratraman-11-oneVeratraman-11-one, 17,23-epoxy-5,6-dihydro-3-hydroxy-, (3beta,5alpha,23beta)-
Database identifiers
- CAS
105814-56-0- PubChem CID
- 176013
- DTXSID
DTXSID50909751- ChEMBL
CHEMBL2296486
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 821
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Related reactions
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Compound notes
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