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3.alpha.,5-Epoxy-6.alpha.-iodo-A-homo-4-oxa-5.alpha.-cholestane
SpectraBase Compound ID HOhQ4D8X16S
InChI InChI=1S/C27H45IO2/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-16-27(28)24-29-23(30-24)13-15-26(27,5)22(19)12-14-25(20,21)4/h17-24H,6-16H2,1-5H3/t18-,19+,20-,21?,22?,23-,24?,25-,26-,27-/m1/s1
InChIKey BVGYSMIBOFILDR-PWNNJZATSA-N
Mol Weight 528.6 g/mol
Molecular Formula C27H45IO2
Exact Mass 528.246426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rxEYx70N4F
Name 3.alpha.,5-Epoxy-6.alpha.-iodo-A-homo-4-oxa-5.alpha.-cholestane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45IO2
InChI InChI=1S/C27H45IO2/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-16-27(28)24-29-23(30-24)13-15-26(27,5)22(19)12-14-25(20,21)4/h17-24H,6-16H2,1-5H3/t18-,19+,20-,21?,22?,23-,24?,25-,26-,27-/m1/s1
InChIKey BVGYSMIBOFILDR-PWNNJZATSA-N
Molecular Weight 528.559 g/mol
SMILES [C@]12([C@@](C3CC[C@]4(C([C@@]3(CC2)[H])CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)(CCC2OC1O2)C)I
SPLASH splash10-0pba-9011500000-626ef3a4e23a391bc76c
Source of Spectrum KC-1981-245-0
Synonyms (2S,5S,9R,10R,14R)-9-[(1R)-1,5-dimethylhexyl]-2-iodo-10,14-dimethyl-18,19-dioxapentacyclo[15.1.1.0(2,14).0(5,13).0(6,10)]nonadecane
Wiley ID 1403050