Basic information
- CAS
508-76-9- Standard SMILES
CC1O[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)CC(O)[C@@H]1O- InChIKey
QBILRDAMJUPXCX-OZJKNARASA-N- Molecular formula
- C29H42O9
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.28288291
Names & identifiers
- Preferred name
- (3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-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
- IUPAC
- (3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-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
- Corchoroside
- Molecular formula
- C29H42O9
- Molecular weight
- 534.65
Names & synonyms
3-[(2,6-Dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolideDTXSID10965035(3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-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(8xi,9xi)-3beta-[(2,6-Dideoxy-beta-D-glycero-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolideCorchorosideCard-20(22)-enolide, 3-[(2,6-dideoxy-β-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-(3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyl-oxan-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(3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Melting point
- 165 · 165-166 °C
- Boiling point
- 735.6 · 735.6±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.70(Predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: Corchoroside A is a cardenolide glycoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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