Basic information
- CAS
30460-59-4- Standard SMILES
C=C1[C@@H]2CCC3C(C)=CC2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C3O- InChIKey
GIUXMMHBAIUPAN-SDGYDOHWSA-N- Molecular formula
- C20H30O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.21440944
Names & identifiers
- Preferred name
- Grayanotoxa-10,15-diene-3,5,6,14-tetrol
- IUPAC
- (3R,4R,6S,8S,10S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6,16-tetrol
Names & synonyms
DTXSID40952791Grayanotoxa-10,15-diene-3,5,6,14-tetrolGrayanotoxa-10,15-diene-3beta,5,6beta,14-tetrol
Database identifiers
- CAS
30460-59-4- PubChem CID
- 198094
- DTXSID
DTXSID40952791
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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