Grayanotoxin VII
Basic information
- CAS
30460-59-4- Standard SMILES
C=C1[C@@H]2CC[C@H]3C(C)=C[C@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)[C@@H]3O- InChIKey
GIUXMMHBAIUPAN-RELJXXFQSA-N- Molecular formula
- C20H30O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.21440943
Overview
grayanotoxin vii has been reported in Rhododendron catawbiense, Pieris japonica, and other organisms with data available.
Names & identifiers
- Preferred name
- Grayanotoxin VII
- IUPAC
- (1S,3R,4R,6S,8S,10S,13S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6,16-tetrol
Names & synonyms
Grayanotoxin VIIPrincipinol E79JEO8F2C2UNII-79JEO8F2C2BRN 216505030460-59-4Grayanotoxa-10(20),15-diene-3,5,6,14-tetrol, (3-beta,6-beta,14R)-Grayanotoxa-10(20),15-diene-3,5,6,14-tetrol, (3.beta.,6.beta.,14R)-(1S,3R,4R,6S,8S,10S,13S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6,16-tetrol7,9A-METHANO-9AH-CYCLOPENTA(B)HEPTALENE-2,11,11A,12(1H)-TETROL, 2,3,3A,4,4A,5,6,7,10,11-DECAHYDRO-1,1,8-TRIMETHYL-4-METHYLENE-, (2S,3AS,4AS,7S,9AS,11R,11AR,12R)-7,9aa-Methano-9aH-cyclopenta(b)heptalene-2,11,11a-beta,12(1H)-tetrol, 2a,3,3aa,4,4a-beta,5,6,7-beta,10,11a-decahydro-1,1,8-trimethyl-4-methylene-(1S,3R,4R,6S,8S,10S,13S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo(11.2.1.01,10.04,8)hexadec-14-ene-3,4,6,16-tetrol
Show more names
RefChem:144396GRAYANOTOXA-10(20),15-DIENE-3,5,6,14-TETROL, (3BETA,6BETA,14R)-CHEMBL4569874NS00093928Q27266757
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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