2,3,24-Trihydroxyolean-12-en-28-oic acid
Grundinformationen
- CAS
150821-16-2- Standard-SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
RWNHLTKFBKYDOJ-ZDNZHVAWSA-N- Summenformel
- C30H48O5
- Durchschnittliche Molmasse
- 488,7 g/mol
Überblick
2,3,24-Trihydroxyolean-12-en-28-oic acid has been reported in Prunella vulgaris, Actinidia chinensis, and Vitex negundo var. cannabifolia with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2,3,24-Trihydroxyolean-12-en-28-oic acid
- IUPAC
- (4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- Englischer Name
- 2,3,24-Trihydroxyolean-12-en-28-oic acid
- Summenformel
- C30H48O5
- Molmasse
- 488.7
Namen und Synonyme
2,3,24-Trihydroxyolean-12-en-28-oic acidRefChem:908538150821-16-2(4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid2|A,3|A,24-trihydroxyolean-12-en-28-oic acid2alpha,3alpha,24-Trihydroxyolean-12-en-28-oic acid2| cent,3| cent,24-Trihydroxyolean-12-en-28-oic acid(2alpha,3alpha,,4beta)-2,3,23-Trihydroxyolean-12-en-28-oic acidorb1683837SCHEMBL5798222CHEMBL3342058HY-N1720
Weitere Namen anzeigen
24-Trihydroxyolean-12-en-28-oic acid2α,3α,24-Trihydroxyolean-12-en-28-oic acid2alpha, 3alpha, 24-trihydroxy-12-en-28-neneneba oleanolic acid(4aS,6aS,6bR,8aR,9S,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylicaci
TN2686AKOS032962182DA-69627FS-10404
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 98 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 941
Physikochemische Eigenschaften
- Siedepunkt
- 605.956 · 605.956±55.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.192 · 1.192±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.623 · 4.623±0.70(predicted)
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