Basic information
- Standard SMILES
C=C1[C@@H]2CC[C@@H]3[C@@H](OC(=O)CC)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O- InChIKey
VVXZWGWGAMWPOU-GTPZWBMOSA-N- Molecular formula
- C23H36O6
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.25118887
Overview
Asebotoxin II is a diterpenoid.
Names & identifiers
- Preferred name
- Asebotoxin II
- IUPAC
- [(1S,3R,4R,6S,8S,10S,13R,14R,16R)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
Names & synonyms
Asebotoxin II23984-18-1C09063CHEBI:2872CHEMBL4569864DTXSID20946835NS00093908Q271058563,5,6,16-Tetrahydroxygrayanotox-10-en-14-yl propanoate(14R)-3beta,5,6beta,16-Tetrahydroxygrayanotox-10-en-14-yl propanoate
Database identifiers
- CAS
23984-18-1- PubChem CID
- 442003
- DTXSID
DTXSID20946835- ChEMBL
CHEMBL4569864- ChEBI
CHEBI:2872- Nikkaji
- J16.740A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 733
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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