3-[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
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Basic information
- CAS
11037-26-6- Standard SMILES
COC1C(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C(O)C1OC- InChIKey
BGGIZHKHJBQRTI-UHFFFAOYSA-N- Molecular formula
- C31H46O10
- Average molar mass
- 578.699 g/mol
- Monoisotopic mass
- 578.30909767
Names & identifiers
- Preferred name
- 3-[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
- IUPAC
- 3-[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
- English name
- mansonin
- Molecular formula
- C31H46O10
- Molecular weight
- 578.69
Names & synonyms
mansonin3β-[(2-O,3-O-Dimethyl-6-deoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolideCard-20(22)-enolide, 3-[(6-deoxy-2,3-di-O-methyl-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
Database identifiers
- CAS
11037-26-6、59015-79-1- PubChem CID
- 159336
- DTXSID
DTXSID50911617
Properties
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 735.9 · 735.9±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
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Compound notes
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