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Basic information
- CAS
37720-87-9- Standard SMILES
CC1(O)CC23CC(O)C4(O)C(C(O)C(O)C4(C)C)C(C)(O)C2CCC1C3O- InChIKey
OIRQCTPPDJLTNN-UHFFFAOYSA-N- Molecular formula
- C20H34O7
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.23045343
Overview
Grayanotoxane-2,3,5,6,10,14,16-heptol has been reported in Rhododendron and Rhododendron molle with data available.
Names & identifiers
- Preferred name
- Grayanotoxane-2,3,5,6,10,14,16-heptol
- IUPAC
- 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,14,16-heptol
Names & synonyms
DTXSID50958764grayanotoxane-2,3,5,6,10,14,16-heptol
Database identifiers
- CAS
37720-87-9- PubChem CID
- 198181
- DTXSID
DTXSID50958764
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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