Basic information
- CAS
64552-25-6- Standard SMILES
CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CC[C@]12O[C@@H]1CC(C)CN(C)[C@H]1C2C- InChIKey
RKMIVAVNVAGZNT-HXQQKEKESA-N- Molecular formula
- C28H41NO3
- Average molar mass
- 439.6 g/mol
- Monoisotopic mass
- 439.30864417
Names & identifiers
- Preferred name
- 3-Hydroxy-28-methyl-17,23-epoxyveratraman-11-one
- IUPAC
- (3'aS,7'aR,9R)-3-hydroxy-3',4',6',10,11b-pentamethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
Names & synonyms
DTXSID909831763-Hydroxy-28-methyl-17,23-epoxyveratraman-11-one(8xi,9xi,10xi,14xi,22S,23R,25xi)-3-Hydroxy-28-methyl-20xi-17,23-epoxyveratraman-11-one
Database identifiers
- CAS
64552-25-6- PubChem CID
- 47422
- DTXSID
DTXSID90983176
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 906
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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