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27-Norcholesta-5,23-dien-25-one, 1,3-bis(acetyloxy)-, (1.alpha.,3.beta.,23E)-
SpectraBase Compound ID PjpzpI2Ggf
InChI InChI=1S/C30H44O5/c1-18(8-7-9-19(2)31)25-12-13-26-24-11-10-22-16-23(34-20(3)32)17-28(35-21(4)33)30(22,6)27(24)14-15-29(25,26)5/h7,9-10,18,23-28H,8,11-17H2,1-6H3/b9-7+/t18-,23-,24+,25-,26+,27+,28+,29-,30+/m1/s1
InChIKey YPTHADUCBWPVLF-OXRAFGKUSA-N
Mol Weight 484.7 g/mol
Molecular Formula C30H44O5
Exact Mass 484.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzmxStJ3ocY
Name 27-Norcholesta-5,23-dien-25-one, 1,3-bis(acetyloxy)-, (1.alpha.,3.beta.,23E)-
Alternate Name(s) (1S,2R,3S,5R,10S,11S,14R,15R)-5-(acetyloxy)-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-3-yl acetate (23E)-1.alpha.,3.beta.-diacetoxy-27-nor-5,23-cholestadien-25-one
CAS Registry Number 83872-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44O5
InChI InChI=1S/C30H44O5/c1-18(8-7-9-19(2)31)25-12-13-26-24-11-10-22-16-23(34-20(3)32)17-28(35-21(4)33)30(22,6)27(24)14-15-29(25,26)5/h7,9-10,18,23-28H,8,11-17H2,1-6H3/b9-7+/t18-,23-,24+,25-,26+,27+,28+,29-,30+/m1/s1
InChIKey YPTHADUCBWPVLF-OXRAFGKUSA-N
Molecular Weight 484.677 g/mol
SMILES [C@]12(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](C\C=C\C(=O)C)(C)[H])[H])[H])[H])C[C@](C[C@@]1(OC(=O)C)[H])(OC(=O)C)[H])C
SPLASH splash10-02tc-6913000000-4d96cfc3458a9ed879b6
Source of Spectrum H-65-1514-0
Wiley ID 1396110