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#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

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
Enantiomer InChIKey WPEYMECUMIEHPE-JSJNYSNDSA-N

View Spectrum of #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

MS (GC) Spectrum
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Source of Spectrum CBD-1-461-1

View Spectrum of #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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (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
METHYL-HISPANONATE
5-ALPHA,10-BETA,14-BETA-TRIHYDROXY-2-ALPHA-4(20),11-TAXADIENE
Silane, [[(3.beta.,5.alpha.)-4,4-dimethylcholesta-8,24-dien-3-yl]oxy]trimethyl-
#7I;(1-ALPHA,4-ALPHA,4A-ALPHA,7A-ALPHA)-4,4A,7,7A-TETRAHYDRO-8,8-DIMETHYL-1-(4'-METHOXYPHENYL)-4-(4''-NITROPHENYL)-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE
CUSSOVANTOSIDE-C
Cholesta-8,14-dien-3-ol, 4,4-dimethyl-, (3.beta.,5.alpha.)-Acetate
ASDDNTIFAUVZTF-STQVVSQFSA-N
ASDDNTIFAUVZTF-RXHMZUAMSA-N
Dimethyl 2-(bromomethyl)-2-phenyl-2H,9aH-pyrido[2,1-b][1,3]oxazine-3,4-dicarboxylate
5H-Phenanthro[8a,9-c]furan-2,7-dione, 1,3,4,7a,8,12b-hexahydro-3,10,11-trimethoxy-, (4aS*,7a.alpha.,12b.beta.)-
Title Journal or Book Year
Limbetazulone: a New‘Decahydro-8-oxanaphtho[2,1-f]azulen-7-one’ Diterpenoid fromBallota limbeta, and Occurence of Two Conformational Isomers in the Crystal Chemistry & Biodiversity 2004
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