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

*Links on SpectraBase are not permalinks.
(3aR,4R,5S,7S,7aR)-5-[(2R,3S)-2-Methyl-3-(tetrahydro-pyran-4-yloxy)-butyl]-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-inden-5-ol
SpectraBase Compound ID A1Oao0Sd4Ze
InChI InChI=1S/C20H32O3/c1-13(14(2)23-16-6-8-22-9-7-16)11-20(21)12-15-10-19(20)18-5-3-4-17(15)18/h3,5,13-19,21H,4,6-12H2,1-2H3/t13-,14+,15-,17-,18+,19-,20-/m1/s1
InChIKey VPZCWLFRXAGJLQ-TYVQWCHMSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 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 3wFDYhGUA3D
Name (3aR,4R,5S,7S,7aR)-5-[(2R,3S)-2-Methyl-3-(tetrahydro-pyran-4-yloxy)-butyl]-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-inden-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-13(14(2)23-16-6-8-22-9-7-16)11-20(21)12-15-10-19(20)18-5-3-4-17(15)18/h3,5,13-19,21H,4,6-12H2,1-2H3/t13-,14+,15-,17-,18+,19-,20-/m1/s1
InChIKey VPZCWLFRXAGJLQ-TYVQWCHMSA-N
Literature Reference DOI 10.1002/hlca.200490151
Molecular Weight 320.473 g/mol
SMILES O[C@]1([C@]2([C@@]3([C@@]([C@@](C1)(C2)[H])(CC=C3)[H])[H])[H])C[C@]([C@](C)(OC1CCOCC1)[H])(C)[H]
SPLASH splash10-00kr-9210000000-0abc81f3ebb1c2205fb1
Source of Spectrum H-87-1677-ent_24
Synonyms (3aS,4R,5S,7S,7aR)-5-((2R,3S)-2-methyl-3-((tetrahydro-2H-pyran-4-yl)oxy)butyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-ol
Wiley ID 1785504