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OLEANOLIC-ACID-28-O-METHYLESTER
SpectraBase Compound ID 2Ma1oWgg7Gw
InChI InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
InChIKey BTXWOKJOAGWCSN-JBYJGCOVSA-N
Mol Weight 470.7 g/mol
Molecular Formula C31H50O3
Exact Mass 470.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s3U1wYfPZ7
Name (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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 methyl ester
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Formula C31H50O3
InChI InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
InChIKey BTXWOKJOAGWCSN-JBYJGCOVSA-N
Molecular Weight 470.738 g/mol
SMILES O[C@]1(CC[C@]2([C@@](C1(C)C)([H])CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)OC)CCC(C)(C)C[C@@]4([H])C3=CC[C@]21[H])C)[H]
SPLASH splash10-0w29-0290000000-f574ce8f6c5e5aea8e99
Source of Spectrum X4-23-92-0
Synonyms Methyl oleanolate Methyl (3beta)-3-hydroxyolean-12-en-28-oate Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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-carboxylate Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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-carboxylate
Wiley ID 1586054