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Ergost-8(14)-en-3-one, (5.alpha.)-
SpectraBase Compound ID 309wiq1ENij
InChI InChI=1S/C28H46O/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/h18-21,24,26H,7-17H2,1-6H3/t19-,20+,21-,24+,26-,27-,28+/m0/s1
InChIKey DRMLZOPADVROSS-KIGMHTBRSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeZMFnE8P7i
Name Ergost-8(14)-en-3-one, (5.alpha.)-
CAS Registry Number 52908-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/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/h18-21,24,26H,7-17H2,1-6H3/t19-,20+,21-,24+,26-,27-,28+/m0/s1
InChIKey DRMLZOPADVROSS-KIGMHTBRSA-N
Molecular Weight 398.675 g/mol
SMILES C=12[C@@]([C@@]([C@@](CC[C@@](C(C)C)(C)[H])(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCC(C[C@@]3(CCC12)[H])=O)C)[H])C
SPLASH splash10-0a4j-0922000000-7c2df896856282c606d2
Source of Spectrum KO-3-86-4
Synonyms (24S)-5.alpha.-ergost-8(14)-en-3-one (5alpha)-ergost-8(14)-en-3-one 5.alpha.-ergost-8(14)-en-3-one
Wiley ID 1368748