(3S,4S)-Dihydro-3-hydroxy-4-[[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone
Basic information
- CAS
845890-70-2- Standard SMILES
COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC(CO)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O- InChIKey
KFLGGRXURUKLHW-BKCIEVNFSA-N- Molecular formula
- C30H34O11
- Average molar mass
- 570.6 g/mol
- Monoisotopic mass
- 570.2101119
Names & identifiers
- Preferred name
- (3S,4S)-Dihydro-3-hydroxy-4-[[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone
- IUPAC
- (3S,4S)-4-[[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Names & synonyms
DTXSID101099013(3S,4S)-Dihydro-3-hydroxy-4-[[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone845890-70-2
Database identifiers
- CAS
845890-70-2- PubChem CID
- 165366161
- DTXSID
DTXSID101099013
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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