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Oleanolic acid
SpectraBase Compound ID 5xxYAZKGLUf
InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)
InChIKey MIJYXULNPSFWEK-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qhWpYkXArw
Name 3-Hydroxyolean-12-en-28-oic acid
CAS Registry Number 508-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)
InChIKey MIJYXULNPSFWEK-UHFFFAOYSA-N
Molecular Weight 456.711 g/mol
SMILES OC(C12C(C=3C(C4(C(C5(C(C(C(O)CC5)(C)C)CC4)C)CC3)C)(C)CC1)CC(CC2)(C)C)=O
SPLASH splash10-0f6t-0090000000-516943a82871971fdf6a
Source of Spectrum Y1-41-1985-9
Synonyms (3-beta)-3-hydroxyolean-12-en-28-oic acid (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Astrantiagenin C Caryophyllin Giganteumgenin C Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)- Oleanolic acid Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)- Olean-12-en-28-oic acid, 3.beta.-hydroxy- Oleanic acid Virgaureagenin B CCRIS 6493 EINECS 208-081-6 NSC 114945
Wiley ID 1565107