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Ergostan-3-ol, 4,23-dimethyl-, (3.beta.,4.alpha.,5.alpha.,23R)-
SpectraBase Compound ID JseLNPJgVA8
InChI InChI=1S/C30H54O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h18-28,31H,9-17H2,1-8H3/t19-,20-,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey FJAPTEJQNSKSOD-UYXIGPJYSA-N
Mol Weight 430.8 g/mol
Molecular Formula C30H54O
Exact Mass 430.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1sV8MGzucK
Name Ergostan-3-ol, 4,23-dimethyl-, (3.beta.,4.alpha.,5.alpha.,23R)-
Alternate Name(s) (23R,24R)-4.alpha.,23,24-trimethyl-5.alpha.-cholestan-3.beta.-ol (3beta,4alpha,5alpha,23R)-4,23-dimethylergostan-3-ol
CAS Registry Number 86708-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O
InChI InChI=1S/C30H54O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h18-28,31H,9-17H2,1-8H3/t19-,20-,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey FJAPTEJQNSKSOD-UYXIGPJYSA-N
Molecular Weight 430.761 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](C[C@]([C@@](C(C)C)(C)[H])(C)[H])(C)[H])[H])[H])([H])CC[C@]2([C@@]1(C)[H])[H])[H])C)[H]
SPLASH splash10-003r-0240900000-64b180e87292bb4c98a9
Source of Spectrum KC-1987-1302-20
Wiley ID 1381869