3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide
Basic information
- CAS
6875-16-7- Standard SMILES
C[C@]12CC[C@H](O)C[C@H]1C[C@@H]1OC13C2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@]31O- InChIKey
XHBYSYUHABSUKR-CNTUUBOLSA-N- Molecular formula
- C23H32O5
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.22497412
Names & identifiers
- Preferred name
- 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide
- IUPAC
- 3-[(3S,5S,7S,10S,14R,15R,18R)-7,18-dihydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Names & synonyms
DTXSID409884543,14-Dihydroxy-7,8-epoxycard-20(22)-enolide(8xi,9xi)-3beta,14-Dihydroxy-5beta,7beta-7,8-epoxycard-20(22)-enolide
Database identifiers
- CAS
6875-16-7- PubChem CID
- 23310
- DTXSID
DTXSID40988454
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 777
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Compound notes
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