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27-Norcholesta-5,23-dien-25-one, 3-(acetyloxy)-, (3.beta.,23E)-
SpectraBase Compound ID 6h3Gn8cRshz
InChI InChI=1S/C28H42O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h6,8-9,18,22-26H,7,10-17H2,1-5H3/b8-6+/t18-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey HSLIGSSBVVEBGO-JDLMBJGGSA-N
Mol Weight 426.6 g/mol
Molecular Formula C28H42O3
Exact Mass 426.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEYkv0ueY7H
Name 27-Norcholesta-5,23-dien-25-one, 3-(acetyloxy)-, (3.beta.,23E)-
Alternate Name(s) (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R,4E)-6-oxohept-4-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate (23E)-3.beta.-acetoxy-27-nor-5,23-cholestadien-25-one
CAS Registry Number 83872-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O3
InChI InChI=1S/C28H42O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h6,8-9,18,22-26H,7,10-17H2,1-5H3/b8-6+/t18-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey HSLIGSSBVVEBGO-JDLMBJGGSA-N
Molecular Weight 426.641 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](C\C=C\C(=O)C)(C)[H])[H])[H])C
SPLASH splash10-05mo-9213000000-32c789cc7773b3598dbc
Source of Spectrum H-65-1512-0
Wiley ID 1380122