Quinovic acid 3-O-|A-L-rhamnopyranoside
Grundinformationen
- CAS
104055-76-7- Standard-SMILES
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12- InChIKey
PUOQHFWXBKTHST-RDHWLSTBSA-N- Summenformel
- C36H56O9
- Durchschnittliche Molmasse
- 632,8 g/mol
- Monoisotopische Masse
- 632,39243336
Überblick
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid has been reported in Uncaria tomentosa, Sarcocephalus latifolius, and Aria edulis with data available.
Namen und Bezeichner
- Bevorzugter Name
- Quinovic acid 3-O-|A-L-rhamnopyranoside
- IUPAC
- (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
- Englischer Name
- Quinovic acid 3-O-alpha-L-rhaMnopyranoside
- Summenformel
- C36H56O9
- Molmasse
- 632.83
Namen und Synonyme
Quinovic acid 3-O-alpha-L-rhamnopyranoside104055-76-7Quinovic acid 3-O-|A-L-rhamnopyranosidealpha-L-Rhamnoquinovic acidorb1681802HY-N1527TN4886AKOS040762265FS-10096Quinovic acid 3-O-| cent-L-rhamnosideCS-0017075Quinovic acid 3-O-| cent-L-rhamnopyranoside
Weitere Namen anzeigen
Quinovic acid 3-O-rhaMnosideQuinovicacid3-O-α-L-rhamnopyranosideQuinovic acid 3-O-a-L-rhamnopyranosideUrs-12-ene-27,28-dioic acid, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-, (3β)-
F92779(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid3-O--Rhamnosylquinovic acid; Quinovic acid 3-O--L-rhamnopyranoside; Quinovic acid 3-O--L-rhamnoside
Datenbank-Bezeichner
- CAS
104055-76-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 154 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 45
- Formalladung
- 0
- Komplexität
- 1.250
Physikochemische Eigenschaften
- Schmelzpunkt
- 233 · 233-235 °C
- Siedepunkt
- 753.3 · 753.3±60.0 °C(Predicted)
- Dichte
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.70(Predicted)
Chemie und Industrie
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