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3-ALPHA,24-DIHYDROXY-OLEAN-12-EN-28-OIC_ACID

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-ALPHA,24-DIHYDROXY-OLEAN-12-EN-28-OIC_ACID
SpectraBase Compound ID 9qnidYE5Da3
InChI InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23+,26-,27+,28+,29+,30-/m0/s1
InChIKey PGOYMURMZNDHNS-JZLUYQONSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qLcUaZ4hU
Name (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Alternate Name(s) (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-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 (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23+,26-,27+,28+,29+,30-/m0/s1
InChIKey PGOYMURMZNDHNS-JZLUYQONSA-N
Molecular Weight 472.710 g/mol
SMILES OC([C@@]12CCC(C[C@]2(C=2[C@]([C@@]3(CC[C@]4([C@]([C@@](CC[C@@]4([C@]3(CC2)[H])C)(O)[H])(CO)C)[H])C)(CC1)C)[H])(C)C)=O
SPLASH splash10-0f6t-0690000000-61efe22679120355b9a3
Source of Spectrum X2-49-229-1
Wiley ID 1601853