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Olean-12-ene-3,22,28-triol, (3.beta.,22.alpha.)-
SpectraBase Compound ID 1By71qbjgps
InChI InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey YXTURDGNXCWFHX-ZBSZBFADSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JI6gTHMMir1
Name Olean-12-ene-3,22,28-triol, (3.beta.,22.alpha.)-
CAS Registry Number 20475-26-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey YXTURDGNXCWFHX-ZBSZBFADSA-N
Molecular Weight 458.727 g/mol
SMILES OC[C@@]12[C@](CC(C[C@@]2(C=2[C@]([C@@]3(CCC4C([C@](CC[C@@]4([C@]3(CC2)[H])C)(O)[H])(C)C)C)(CC1)C)[H])(C)C)(O)[H]
SPLASH splash10-0ue9-0190000000-d2a985ce656dabe22541
Source of Spectrum B-29-1359-0
Synonyms (3beta,18alpha,22alpha)-olean-12-ene-3,22,28-triol 22.alpha.-hydroxyerythrodiol Erythrodiol, 22.alpha.-hydroxy- Olean-12-ene-3.beta.,22.alpha.,28-tetrol Olean-12-ene-3.beta.,22.alpha.,28-triol, (+)-
Wiley ID 1390034