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Stigmasta-5,24(28)-diene-3,15,29-triol, (3.beta.,15.beta.,24Z)-
SpectraBase Compound ID DXzv0OGQ7CW
InChI InChI=1S/C29H48O3/c1-18(2)20(12-15-30)7-6-19(3)25-17-26(32)27-23-9-8-21-16-22(31)10-13-28(21,4)24(23)11-14-29(25,27)5/h8,12,18-19,22-27,30-32H,6-7,9-11,13-17H2,1-5H3/b20-12-/t19-,22+,23-,24+,25-,26-,27-,28+,29-/m1/s1
InChIKey OJMNRJCHPZMMLT-KLDFYBDNSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iNazlBMOSf
Name Stigmasta-5,24(28)-diene-3,15,29-triol, (3.beta.,15.beta.,24Z)-
CAS Registry Number 118214-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-18(2)20(12-15-30)7-6-19(3)25-17-26(32)27-23-9-8-21-16-22(31)10-13-28(21,4)24(23)11-14-29(25,27)5/h8,12,18-19,22-27,30-32H,6-7,9-11,13-17H2,1-5H3/b20-12-/t19-,22+,23-,24+,25-,26-,27-,28+,29-/m1/s1
InChIKey OJMNRJCHPZMMLT-KLDFYBDNSA-N
Molecular Weight 444.700 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](CC\C(=C\CO)C(C)C)(C)[H])(C[C@]4(O)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-014i-0095500000-cdc335bb6a484730fc73
Source of Spectrum KC-1988-2166-13
Synonyms (3beta,15beta,24Z)-stigmasta-5,24(28)-diene-3,15,29-triol 3.beta.,15.beta.,29-trihydroxystigmasta-5,24(28)-diene
Wiley ID 1386181