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

*Links on SpectraBase are not permalinks.
24-Methyl-5.alpha.,8.alpha.-epidioxycholesta-6,22-dien-3.beta.-ol
SpectraBase Compound ID 2f2AF85Ruzw
InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19?,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1
InChIKey VXOZCESVZIRHCJ-KPUAQAGASA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 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 I5KURpiw84G
Name 24-Methyl-5.alpha.,8.alpha.-epidioxycholesta-6,22-dien-3.beta.-ol
Alternate Name(s) (1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(1R,2E)-1,4,5-trimethyl-2-hexenyl]-16,17-dioxapentacyclo[13.2.2.0(1,9).0(2,6).0(10,15)]nonadec-18-en-13-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19?,20-,21+,22-,23-,24-,25-,26-,27-,28+/m1/s1
InChIKey VXOZCESVZIRHCJ-KPUAQAGASA-N
Molecular Weight 428.657 g/mol
SMILES O[C@@]1(C[C@]23C=C[C@@]4([C@]5([C@]([C@@]([C@@](\C=C\C(C(C)C)C)(C)[H])(CC5)[H])(C)CC[C@@]4([C@]2(CC1)C)[H])[H])OO3)[H]
SPLASH splash10-0gvk-0059200000-77fd9360aa25a8d8c465
Source of Spectrum X4-21-676-3
Wiley ID 1585919