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6.alpha.-Vinyl-A-homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-6.beta.-ol
SpectraBase Compound ID CQeohSmQ2Su
InChI InChI=1S/C29H48O/c1-7-28(30)17-21-13-16-27(6)25-14-15-26(5)23(20(4)10-8-9-19(2)3)11-12-24(26)22(25)18-29(21,27)28/h7,19-25,30H,1,8-18H2,2-6H3/t20-,21-,22?,23-,24+,25?,26-,27-,28+,29+/m1/s1
InChIKey OMYWSTAWFUVYRN-HLJNZDLRSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAYKDz5QC0g
Name 6.alpha.-Vinyl-A-homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-6.beta.-ol
Alternate Name(s) 6.alpha.-Vinyl-A-homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestan-6.beta.-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-28(30)17-21-13-16-27(6)25-14-15-26(5)23(20(4)10-8-9-19(2)3)11-12-24(26)22(25)18-29(21,27)28/h7,19-25,30H,1,8-18H2,2-6H3/t20-,21-,22?,23-,24+,25?,26-,27-,28+,29+/m1/s1
InChIKey OMYWSTAWFUVYRN-HLJNZDLRSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@@]1([C@]23[C@@](C4CC[C@]5([C@](C4C3)(CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@]2(C1)[H])C)C=C
SPLASH splash10-01ox-0009600000-5977252195e72b4be8af
Source of Spectrum J-64-119-43
Wiley ID 1529172