Completing data — usually done within a minute
Basic information
- CAS
126223-68-5- Standard SMILES
C=C1[C@@H]2[C@H](O)[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)CC23C[C@@](C)(O)C(CC[C@@H]12)[C@@H]3O- InChIKey
NXHMKIIWANFGSS-DXFHIEEOSA-N- Molecular formula
- C20H32O6
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.21988874
Overview
Grayanotox-10-ene-2,3,5,6,14,16-hexol has been reported in Rhododendron molle with data available.
Names & identifiers
- Preferred name
- rhodomollein I
- IUPAC
- (3R,4R,6R,7S,8R,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,14,16-hexol
Names & synonyms
rhodomollein I126223-68-5(-)-Rhodomollein IDTXSID10925452Grayanotox-10-ene-2,3,5,6,14,16-hexol(14S)-Grayanotox-10-ene-2beta,3beta,5,6beta,14,16-hexol
Database identifiers
- CAS
126223-68-5- PubChem CID
- 182759
- DTXSID
DTXSID10925452- ChEMBL
CHEMBL518213
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…