[2α(2S,3S,4S,6R),3β,5α]-2,3-[[4-Acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolid
13a-Formyl-3a,11a-dihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-11-yl acetate
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Grundinformationen
- CAS
36573-63-4- Standard-SMILES
CC(=O)O[C@H]1C[C@@H](C)O[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C=O)C[C@H]3O[C@]21O- InChIKey
OXKMZIABKYHLAR-SVDYBJNLSA-N- Summenformel
- C31H42O10
- Durchschnittliche Molmasse
- 574,667 g/mol
- Monoisotopische Masse
- 574,27779754
Namen und Bezeichner
- Bevorzugter Name
- 13a-Formyl-3a,11a-dihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-11-yl acetate
- IUPAC
- (1R,3aS,3bR,5aS,6aR,7aS,9R,11S,11aS,12aR,13aR,13bS,15aR)-13a-Formyl-3a,11a-dihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-11-yl acetate
- Lokaler Name
- [2α(2S,3S,4S,6R),3β,5α]-2,3-[[4-Acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolid
- Englischer Name
- [2alpha(2S,3S,4S,6R),3beta,5alpha]-2,3-[[4-acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide
- Summenformel
- C31H42O10
- Molmasse
- 574.66
Namen und Synonyme
Brn 4897521AsclepiadinEinecs 253-110-83'-o-AcetylcalotropinCalotropin, 3'-o-acetyl-(2alpha,3beta,5alpha)-3-((3-o-Acetyl-4,6-dideoxy-D-erythro-hexopyranos-2-ulos-1-yl)oxy) card-20(22)-enolide3β,2α-[[(2S,3S,4S,6R)-4-(Acetoxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-2,3-diyl]bisoxy]-14-hydroxy-19-oxo-5α-card-20(22)-enolide[2α(2S,3S,4S,6R),3β,5α]-2,3-[[4-acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolideCard-20(22)-enolide, 2,3-[[(2S,3S,4S,6R)-4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-, (2α,3β,5α)-[2alpha(2S,3S,4S,6R),3beta,5alpha]-2,3-[[4-acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide
Datenbank-Bezeichner
- CAS
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 308.5 °C · 308.5°C
- Siedepunkt
- 555.99 °C · 555.99°C (rough estimate)
- Dichte
- 1.1606 · 1.1606 (rough estimate)
- Brechungsindex
- 1.5376 · 1.5376 (estimate)
- pka
- 10.95 · 10.95±0.70(Predicted)
Chemie und Industrie
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