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A-Homocholestane, 3,5-epoxy-4a-iodo-3-methyl-, (3.alpha.,4a.beta.,5.alpha.)-
SpectraBase Compound ID 5lNAdAwxFfd
InChI InChI=1S/C29H49IO/c1-18(2)8-7-9-19(3)21-12-13-22-20-10-11-24-25-26(30)29(6,31-25)17-16-28(24,5)23(20)14-15-27(21,22)4/h18-26H,7-17H2,1-6H3/t19-,20+,21-,22+,23?,24?,25?,26+,27-,28-,29+/m1/s1
InChIKey GZPYDOWQDVSSAL-KGZKYYLTSA-N
Mol Weight 540.6 g/mol
Molecular Formula C29H49IO
Exact Mass 540.282811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tIDxHu9Zsg
Name A-Homocholestane, 3,5-epoxy-4a-iodo-3-methyl-, (3.alpha.,4a.beta.,5.alpha.)-
Alternate Name(s) A-Homocholestane, 3,5-epoxy-4a-iodo-3-methyl-, (3.beta.,4a.alpha.,5.beta.)- (5S,6S,9R,10R,14R,17S,19S)-9-[(1R)-1,5-dimethylhexyl]-19-iodo-10,14,17-trimethyl-18-oxapentacyclo[15.1.1.0(2,14).0(5,13).0(6,10)]nonadecane 1H-5a,8-Epoxycyclohepta[a]cyclopenta[f]naphthalene, A-homocholestane deriv. 3.alpha.,5-Epoxy-3.beta.-methyl-4a.beta.-iodo-A-homo-5.alpha.-cholestane 3.beta.,5-epoxy-3.alpha.-methyl-4a.alpha.-iodo-a-homo-5.alpha.-cholestane
CAS Registry Number 81397-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49IO
InChI InChI=1S/C29H49IO/c1-18(2)8-7-9-19(3)21-12-13-22-20-10-11-24-25-26(30)29(6,31-25)17-16-28(24,5)23(20)14-15-27(21,22)4/h18-26H,7-17H2,1-6H3/t19-,20+,21-,22+,23?,24?,25?,26+,27-,28-,29+/m1/s1
InChIKey GZPYDOWQDVSSAL-KGZKYYLTSA-N
Molecular Weight 540.614 g/mol
SMILES [C@@]12(C(C3O[C@](CC2)(C)[C@]3(I)[H])CC[C@]2([C@@]3(CC[C@@]([C@]3(CCC12)C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C
SPLASH splash10-0a4i-9410200000-3278c4e4a6aa6f5b6993
Source of Spectrum KC-1981-2968-0
Wiley ID 1404629