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

*Links on SpectraBase are not permalinks.
.alpha.(2)-3-[6'-(5"-Bromotetrahydro-2",6",6"-trimethyl-2H-pyran-2"-yl)octahydro-8'a-methylpyrano[3,2-b]pyran-2'-yl]-but-2-en-1-yl]-tetrahydro.alpha(5).,.alpha(5).,2-trimethylfuran-2,5-dimethanol
SpectraBase Compound ID E3eWfP1xqaS
InChI InChI=1S/C30H51BrO6/c1-19(9-11-22(32)28(6)17-14-23(36-28)26(2,3)33)20-10-12-24-29(7,35-20)18-15-25(34-24)30(8)16-13-21(31)27(4,5)37-30/h9,20-25,32-33H,10-18H2,1-8H3/b19-9+/t20-,21-,22+,23-,24-,25-,28-,29+,30+/m1/s1
InChIKey JJTXYVOUNQSSNW-URNFXHFVSA-N
Mol Weight 587.6 g/mol
Molecular Formula C30H51BrO6
Exact Mass 586.286902 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 GVxX9SvBZK7
Name .alpha.(2)-3-[6'-(5"-Bromotetrahydro-2",6",6"-trimethyl-2H-pyran-2"-yl)octahydro-8'a-methylpyrano[3,2-b]pyran-2'-yl]-but-2-en-1-yl]-tetrahydro.alpha(5).,.alpha(5).,2-trimethylfuran-2,5-dimethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H51BrO6
InChI InChI=1S/C30H51BrO6/c1-19(9-11-22(32)28(6)17-14-23(36-28)26(2,3)33)20-10-12-24-29(7,35-20)18-15-25(34-24)30(8)16-13-21(31)27(4,5)37-30/h9,20-25,32-33H,10-18H2,1-8H3/b19-9+/t20-,21-,22+,23-,24-,25-,28-,29+,30+/m1/s1
InChIKey JJTXYVOUNQSSNW-URNFXHFVSA-N
Molecular Weight 587.636 g/mol
SMILES OC([C@@]1(O[C@@]([C@](C\C=C\([C@@]2(O[C@]3(CC[C@@](O[C@@]3(CC2)[H])([C@]2(OC([C@@](CC2)(Br)[H])(C)C)C)[H])C)[H])C)(O)[H])(CC1)C)[H])(C)C
SPLASH splash10-0006-0900000000-4b3999d4ea589f587fd2
Source of Spectrum H-91-1265-3
Synonyms 15,16-Anhydrothyrsiferol
Wiley ID 1693331