Corchoroside A
Grundinformationen
- CAS
508-76-9- Standard-SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@H]1O- InChIKey
QBILRDAMJUPXCX-PDSBPYSYSA-N- Summenformel
- C29H42O9
- Durchschnittliche Molmasse
- 534,6 g/mol
- Monoisotopische Masse
- 534,28288291
Überblick
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-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 has been reported in Erysimum cheiranthoides, Draba nemorosa, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Corchoroside A
- IUPAC
- (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-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
- Englischer Name
- Corchoroside
- Summenformel
- C29H42O9
- Molmasse
- 534.65
Namen und Synonyme
Corchoroside A508-76-9RefChem:9190423-(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-carbaldehydeFC163234(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-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-carbaldehydeCorchorosideCard-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-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(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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 143 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 38
- Formalladung
- 0
- Komplexität
- 1.010
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-166 °C
- Siedepunkt
- 735.6 · 735.6±60.0 °C(Predicted)
- Dichte
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.70(Predicted)
Zugehörige Reaktionen
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