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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 HDPX9jebwvv
Name 3alpha,23-Dihydroxyolean-12-en-28-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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@]12[C@](C=3[C@]([C@@]4(CC[C@]5([C@]([C@@](CC[C@@]5([C@]4(CC3)[H])C)(O)[H])(CO)C)[H])C)(CC1)C)(CC(CC2)(C)C)[H])=O
SPLASH splash10-0f6t-0090000000-6a15717a32aacd9dd272
Source of Spectrum QA-49-430-8
Synonyms (4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-10-hydroxy-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)-carboxylic acid
Wiley ID 1795653