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Cholestane, 2,3-epoxy-2-methyl-, (2.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID AEHqs0jcLAX
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20-16-25-28(6,29-25)17-27(20,5)24(21)14-15-26(22,23)4/h18-25H,7-17H2,1-6H3
InChIKey XKYPRJZDGOHQQV-UHFFFAOYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vRakWWLEm8
Name Cholestane, 2,3-epoxy-2-methyl-, (2.alpha.,3.alpha.,5.alpha.)-
Alternate Name(s) 1-(1,5-Dimethylhexyl)-7a,8a,10a-trimethylhexadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]oxirene
CAS Registry Number 55402-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20-16-25-28(6,29-25)17-27(20,5)24(21)14-15-26(22,23)4/h18-25H,7-17H2,1-6H3
InChIKey XKYPRJZDGOHQQV-UHFFFAOYSA-N
Molecular Weight 400.691 g/mol
SMILES C12(C)C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC2C(C1)(C)O2
SPLASH splash10-0udi-0149800000-c0f5cd4a783074ff2f05
Source of Spectrum SD-1981-0-0
Wiley ID 1369778