(-)-Podorhizol
Basic information
- CAS
17187-78-9- Standard SMILES
COc1cc([C@@H](O)C2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC- InChIKey
UNWCWBJEKCTIML-XLDGYAMZSA-N- Molecular formula
- C22H24O8
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.14711772
Overview
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Names & identifiers
- Preferred name
- (-)-Podorhizol
- IUPAC
- (4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Names & synonyms
(-)-PodorhizolNSC 2837902(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-(hydroxy(3,4,5-trimethoxyphenyl)methyl)-, (3S-(3alpha(R*),4beta))-
Database identifiers
- CAS
17187-78-9- PubChem CID
- 176902
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 571
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Compound notes
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