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Cholestanone acetal
SpectraBase Compound ID LZGCS8TUfv5
InChI InChI=1S/C30H52O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-23-19-22(28-31-17-18-32-28)13-15-29(23,4)27(24)14-16-30(25,26)5/h20-28H,6-19H2,1-5H3/t21-,22?,23+,24+,25?,26+,27+,29+,30-/m1/s1
InChIKey ZRPWVQCAXHRUCD-BWHSTNCKSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVvOXaSNqW9
Name Cholestanone acetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-23-19-22(28-31-17-18-32-28)13-15-29(23,4)27(24)14-16-30(25,26)5/h20-28H,6-19H2,1-5H3/t21-,22?,23+,24+,25?,26+,27+,29+,30-/m1/s1
InChIKey ZRPWVQCAXHRUCD-BWHSTNCKSA-N
Molecular Weight 444.744 g/mol
SMILES C1C(C[C@]2([C@](C)(C1)[C@@]1([C@](CC2)([H])[C@]2([C@](C(CC2)[C@@](CCCC(C)C)(C)[H])(C)CC1)[H])[H])[H])C1OCCO1
SPLASH splash10-014m-7594300000-92db9b17920eccb761ea
Source of Spectrum Y1-41B-1035-arb5
Synonyms 2-((5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,3-dioxolane
Wiley ID 1744152