Basic information
- CAS
56663-60-6- Standard SMILES
CC1(O)CC23C(O)C1CCC2C(C)(O)C1CC(O)C(C)(C)C1(O)C(O)C3O- InChIKey
HRJZZHMMTOORSG-UHFFFAOYSA-N- Molecular formula
- C20H34O7
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.23045343
Names & identifiers
- Preferred name
- Asebotoxin V, bisdeacyl-
- IUPAC
- 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14,16-heptol
- English name
- (14R)-Grayanotoxane-3β,5,6β,7α,10,14,16-heptol
- Molecular formula
- C20H34O7
- Molecular weight
- 386.49
Names & synonyms
Asebotoxin V, bisdeacyl-56663-60-6RefChem:1077284Deacylpieristoxin FBisdeacylasebotoxin V5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14,16-heptol(14R)-Grayanotoxane-3beta,5,6beta,7alpha,10,14,16-heptolDTXSID50972107Grayanotoxane-3,5,6,7,10,14,16-heptol, (3-beta,6-beta,7-alpha,14R)-Grayanotoxane-3,5,6,7,10,14,16-heptolKalmitoxin I(14R)-Grayanotoxane-3β,5,6β,7α,10,14,16-heptol
Show more names
Grayanotoxane-3,5,6,7,10,14,16-heptol, (3β,6β,7α,14R)- (9CI)
Database identifiers
- CAS
56663-60-6- PubChem CID
- 171535
- DTXSID
DTXSID50972107
Properties
Computed structural properties
- 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
Physicochemical properties
- Boiling point
- 573 · 573.0±50.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.70(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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