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

*Links on SpectraBase are not permalinks.

#1;LIMBETAZULONE;(3S,4S,4AR,12BS)-1,2,3,4,4A,5,6,11,12,12B-DECAHYDRO-3-HYDROXY-4-(HYDROXYMETHYL)-NAPHTHO-[1',2:5,6]-CYCLOHEPTA-[1,2-B]-FURAN-7(7H)-ONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#1;LIMBETAZULONE;(3S,4S,4AR,12BS)-1,2,3,4,4A,5,6,11,12,12B-DECAHYDRO-3-HYDROXY-4-(HYDROXYMETHYL)-NAPHTHO-[1',2:5,6]-CYCLOHEPTA-[1,2-B]-FURAN-7(7H)-ONE
SpectraBase Compound ID 2jIRJfwesWJ
InChI InChI=1S/C20H26O4/c1-19-9-7-16(22)20(2,11-21)15(19)6-4-13-14(19)5-3-12-8-10-24-18(12)17(13)23/h8,10,15-16,21-22H,3-7,9,11H2,1-2H3/t15-,16+,19-,20-/m1/s1
InChIKey WPEYMECUMIEHPE-WOUAJJJCSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 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 JEJTiCAbVXd
Name (3S,4S,4aR,12bS)-1,2,3,4,4a,5,6,11,12,12b-Decahydro-3-hydroxy-4-(hydroxymethyl)-4-methyl-naphtho[1',2':5,6]cyclohepta[1,2-b]furan-7(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-19-9-7-16(22)20(2,11-21)15(19)6-4-13-14(19)5-3-12-8-10-24-18(12)17(13)23/h8,10,15-16,21-22H,3-7,9,11H2,1-2H3/t15-,16+,19-,20-/m1/s1
InChIKey WPEYMECUMIEHPE-WOUAJJJCSA-N
Literature Reference DOI 10.1002/cbdv.200490038
Molecular Weight 330.424 g/mol
SMILES O[C@]1(CC[C@]2([C@]([C@]1(CO)C)(CCC1=C2CCc2c(C1=O)occ2)[H])C)[H]
SPLASH splash10-001i-1897000000-cbb46c3a9038e28c1654
Source of Spectrum CBD-1-461-1
Synonyms Limbetazulone (3S,4S,4aR,12bS)-3-hydroxy-4-(hydroxymethyl)-4,12b-dimethyl-1,2,3,4,4a,5,6,11,12,12b-decahydro-7H-naphtho[1',2':5,6]cyclohepta[1,2-b]furan-7-one
Wiley ID 1792445