[(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14,17-dihydroxy-3-[(2R,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
Grundinformationen
- Standard-SMILES
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C[C@@H](OC(C)=O)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)O2)[C@H](C)O1- InChIKey
CRVFAQPOAZPTJB-ZRUWHBSUSA-N- Summenformel
- C51H82O18
- Durchschnittliche Molmasse
- 983,2 g/mol
- Monoisotopische Masse
- 982,55011578
Überblick
CRVFAQPOAZPTJB-ZRUWHBSUSA-N has been reported in Cynanchum rostellatum with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14,17-dihydroxy-3-[(2R,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
- IUPAC
- [(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14,17-dihydroxy-3-[(2R,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 215 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 69
- Formalladung
- 0
- Komplexität
- 1.840
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