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Oleanderic acid
SpectraBase Compound ID JMAU2LMGQwe
InChI InChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h15,17-23,31,34H,8-14,16H2,1-7H3,(H,32,33)/t18-,19-,20?,21-,22+,23+,26+,27-,28-,29-,30-/m1/s1
InChIKey WMHFQGOQPCAZEI-HSNJHPISSA-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 HVAdFUwXUQW
Name Oleanderic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h15,17-23,31,34H,8-14,16H2,1-7H3,(H,32,33)/t18-,19-,20?,21-,22+,23+,26+,27-,28-,29-,30-/m1/s1
InChIKey WMHFQGOQPCAZEI-HSNJHPISSA-N
Molecular Weight 472.710 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@]([C@@]4(CC[C@@]5(C(=O)O)C=C[C@]([C@@]([C@]5([C@]4(CC3)[H])[H])(C)[H])(O)C)C)(CCC2C1(C)C)C)[H])C)[H]
SPLASH splash10-022a-0920200000-9a8c8ffc5acc7c898dd8
Source of Spectrum X2-68-204-1
Synonyms (3beta,9alpha,13beta,20beta)-3,20-dihydroxyurs-21-en-28-oic acid 3.beta.,20.alpha.-Dihydroxyurs-21-en-28-oic Acid (1R,2R,4aR,6aR,6aR,6bR,10S,12aR,14aR,14bR)-1,2,6a,6b,9,9,12a-heptamethyl-2,10-bis(oxidanyl)-1,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydropicene-4a-carboxylic acid
Wiley ID 1609431