Basic information
- CAS
15487-11-3- Standard SMILES
COC1C(O)[C@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)OC(C)[C@H]1O- InChIKey
DPKLBEWKXLCUQW-MKFBFMIISA-N- Molecular formula
- C30H44O10
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.2934476
Names & identifiers
- Preferred name
- 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
- IUPAC
- (3S,5S,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- English name
- 3β-[(3-O-Methyl-6-deoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolide
- Molecular formula
- C30H44O10
- Molecular weight
- 564.67
Names & synonyms
15487-11-3BRN 56846143-((6-Deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide (3beta,5beta)-5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-beta-D-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-RefChem:301355Strophothevoside(3S,5S,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehydeDTXSID209350873beta-[(3-O-Methyl-6-deoxy-beta-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide(8xi,9xi)-3beta-[(6-Deoxy-3-O-methyl-beta-D-glycero-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
Show more names
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Melting point
- 216 · 216-221 °C
- Boiling point
- 761 · 761.0±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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