Basic information
- CAS
102852-49-3- Standard SMILES
CC1=CC2OC3CC4OC(=O)/C=C/C=C/C56OCCC7(OC7C(=O)OCC2(CC1)C4(C)C31CO1)C5OC(O)C6O- InChIKey
WWNGAYLSKFTSBS-HJIKTHEYSA-N- Molecular formula
- C29H34O11
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.2101119
Names & identifiers
- Preferred name
- Vertisporin, 7',8'-didehydro-2',3'-epoxy-2',3'-dihydro-
- IUPAC
- (20E,22E)-25,26-dihydroxy-10,16-dimethylspiro[2,5,13,18,27,31-hexaoxaheptacyclo[22.4.3.114,17.01,3.07,12.07,16.024,28]dotriaconta-10,20,22-triene-15,2'-oxirane]-4,19-dione
Names & synonyms
BRN 5688536Vertisporin, 7',8'-didehydro-2',3'-epoxy-2',3'-dihydro-
Database identifiers
- CAS
102852-49-3- PubChem CID
- 6438947
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 0
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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