Euphraticol
Basic information
- CAS
126005-99-0- Standard SMILES
CC(C)c1cc2c(c(O)c1O)[C@@]1(C)C[C@@H](O)CC(C)(C)[C@@H]1CC2- InChIKey
CBUIVGCWYRGCIK-KPHUOKFYSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Overview
Abieta-8(14),9(11),12-triene-2,11,12-triol has been reported in Salvia euphratica with data available.
Names & identifiers
- Preferred name
- Euphraticol
- IUPAC
- (4bS,6S,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4,6-triol
Names & synonyms
126005-99-0EuphraticolDTXSID50925375Abieta-8(14),9(11),12-triene-2,11,12-triolAbieta-8(14),9(11),12-triene-2alpha,11,12-triol
Database identifiers
- CAS
126005-99-0- PubChem CID
- 183753
- DTXSID
DTXSID50925375
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
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Related reactions
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Compound notes
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