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Ergostan-3-one, (5.alpha.)-
SpectraBase Compound ID B7IylfuIcdv
InChI InChI=1S/C28H48O/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/h18-21,23-26H,7-17H2,1-6H3/t19-,20+,21-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey DDJMOMHMVFXEQF-BYHPMSKYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9K5bi71UTag
Name Ergostan-3-one, (5.alpha.)-
Alternate Name(s) (24S)-5.alpha.-ergostan-3-one (5alpha)-ergostan-3-one 5.alpha.-ergostan-3-one
CAS Registry Number 59461-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/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/h18-21,23-26H,7-17H2,1-6H3/t19-,20+,21-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey DDJMOMHMVFXEQF-BYHPMSKYSA-N
Molecular Weight 400.691 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1([C@@](CC[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C
SPLASH splash10-0089-0890100000-3f37061be89f9dd8c2c5
Source of Spectrum KO-3-86-4
Wiley ID 1369803