For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3.beta.-[3'-(5",5"-Dimethyl-1",3"-dioxane-2"-yl)propyl]-3.alpha.-methyl-5.alpha.-cholestan-1-one
SpectraBase Compound ID 6bkt1oOxTwf
InChI InChI=1S/C37H64O3/c1-25(2)11-9-12-26(3)29-16-17-30-28-15-14-27-21-35(6,19-10-13-33-39-23-34(4,5)24-40-33)22-32(38)37(27,8)31(28)18-20-36(29,30)7/h25-31,33H,9-24H2,1-8H3/t26-,27+,28+,29-,30+,31+,35-,36-,37+/m1/s1
InChIKey YRDCGDXVPUMEGW-FMQWTKADSA-N
Mol Weight 556.9 g/mol
Molecular Formula C37H64O3
Exact Mass 556.485546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G3waxcQzgqe
Name 3.beta.-[3'-(5",5"-Dimethyl-1",3"-dioxane-2"-yl)propyl]-3.alpha.-methyl-5.alpha.-cholestan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H64O3
InChI InChI=1S/C37H64O3/c1-25(2)11-9-12-26(3)29-16-17-30-28-15-14-27-21-35(6,19-10-13-33-39-23-34(4,5)24-40-33)22-32(38)37(27,8)31(28)18-20-36(29,30)7/h25-31,33H,9-24H2,1-8H3/t26-,27+,28+,29-,30+,31+,35-,36-,37+/m1/s1
InChIKey YRDCGDXVPUMEGW-FMQWTKADSA-N
Molecular Weight 556.916 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C[C@](CCCC2OCC(CO2)(C)C)(C)CC1=O)[H])[H])C
SPLASH splash10-014l-0501090000-9eaf6dd2793198100c54
Source of Spectrum C-120-7018-3
Wiley ID 1699803