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3beta-hydroxyolene-18-ene-28-oic acid
SpectraBase Compound ID 9HxLatqPHJ6
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/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,27+,28-,29-,30+/m1/s1
InChIKey RGZSSKBTFGNUCG-VNTGHVHSSA-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 DHd5xZMF1jF
Name 3beta-hydroxyolene-18-ene-28-oic acid
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/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,27+,28-,29-,30+/m1/s1
InChIKey RGZSSKBTFGNUCG-VNTGHVHSSA-N
Molecular Weight 456.711 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C=5[C@@](C(O)=O)(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)CCC(C5)(C)C)[H])[H])C)[H]
SPLASH splash10-0a4r-0390500000-8c7eac9bf188ce83dd7a
Source of Spectrum QA-47-559-11
Synonyms Morolic acid (4aS,6aR,6bR,8aR,10S,12aR,12bR,14aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-octadecahydropicene-4a(2H)-carboxylic acid
Wiley ID 1795118