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Ergosta-5,7,24(28)-trien-3-ol, (3.beta.)-
SpectraBase Compound ID 8XpGiRbCz74
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1
InChIKey ZEPNVCGPJXYABB-LOIOQLKMSA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9NcV4770vc
Name Ergosta-5,7,24(28)-trien-3-ol, (3.beta.)-
Alternate Name(s) Ergosta-5,7,24(28)-trien-3.beta.-ol (3beta)-ergosta-5,7,24(28)-trien-3-ol 24-Methylcholesta-5,7,24(28)-trien-3.beta.-ol 5-Dehydroepisterol Campesta-7,24(28)-dien-3.beta.-ol
CAS Registry Number 23582-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1
InChIKey ZEPNVCGPJXYABB-LOIOQLKMSA-N
Molecular Weight 396.659 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@]4([C@]([C@]([C@@](CCC(=C)C(C)C)(C)[H])([H])CC4)(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H]
SPLASH splash10-0r00-0192000000-d0f0b26f3276b0f9456c
Source of Spectrum B-43-1727-0
Wiley ID 1367803