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26,27-Dinorergostane-3,12-dione, 24-hydroxy-, (5.beta.)-
SpectraBase Compound ID CrajhWgSf0I
InChI InChI=1S/C26H42O3/c1-16(10-12-24(2,3)29)20-8-9-21-19-7-6-17-14-18(27)11-13-25(17,4)22(19)15-23(28)26(20,21)5/h16-17,19-22,29H,6-15H2,1-5H3/t16-,17-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKey MZGJYKZHNFDJGV-JIWOSGGESA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSahwkF9BkK
Name 26,27-Dinorergostane-3,12-dione, 24-hydroxy-, (5.beta.)-
Alternate Name(s) (1S,2S,7R,10R,11S,14R,15R)-14-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,16-dione 24-Hydroxy-24-nor-5.beta.-cholesta-3,12-dione
CAS Registry Number 82069-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-16(10-12-24(2,3)29)20-8-9-21-19-7-6-17-14-18(27)11-13-25(17,4)22(19)15-23(28)26(20,21)5/h16-17,19-22,29H,6-15H2,1-5H3/t16-,17-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKey MZGJYKZHNFDJGV-JIWOSGGESA-N
Molecular Weight 402.619 g/mol
SMILES OC(CC[C@]([C@@]1([C@@]2([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2=O)[H])(CCC(=O)C4)C)[H])[H])(CC1)[H])C)[H])(C)[H])(C)C
SPLASH splash10-0059-0009000000-3608e04f1e2065c4a863
Source of Spectrum I-60-823-0
Wiley ID 1370622