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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
4,4-DIMETHYL-5-ALPHA-CHOLESTA-8,14,24-TRIEN-3-BETA-OL
3-BETA-HYDROXY-19-O-ACETYL-PIMARA-8(9),15-DIEN-7-ONE
Cholesta-8,14-dien-3-ol, 4,4-dimethyl-, (3.beta.,5.alpha.)-Acetate
5-ALPHA,6-ALPHA,10-BETA,14-BETA-TETRAHYDROXY-2-ALPHA-ACETOXY-4(20),11-TAXADIENE
DENDRONOBILIN-L;2-BETA,3-BETA,4-BETA,5-BETA-2,4,11,12-TETRAHYDROXY-PICROTOXAN-3(15)-OLACTONE
Furost-20(22)-en-26-ol, acetate, (5.alpha.,25R)-
N-{3-[(4-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
TINOCORDISIDE-TETRA-ACETATE
methyl 2-({[2-(3-chlorophenyl)-3-methyl-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Title Journal or Book Year
Limbetazulone: a New ‘Decahydro‐8‐oxanaphtho[2,1‐f]azulen‐7‐one’ Diterpenoid from Ballota limbeta, and Occurence of Two Conformational Isomers in the Crystal Chemistry & Biodiversity 2004
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