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

*Links on SpectraBase are not permalinks.

#14;(+/-)-(3A-ALPHA,8A-ALPHA)-ETHYL-8-BETA-[(METHYLTHIO)-(THIOCARBONYL)-OXY]-3-ALPHA,6-BETA-DIMETHYL-2-OXOOCTAHYDRO-2H-CYCLOHEPTA-[B]-FURAN-3-BETA-CARBOXYLAT

Compound with spectra: 1 NMR

#14;(+/-)-(3A-ALPHA,8A-ALPHA)-ETHYL-8-BETA-[(METHYLTHIO)-(THIOCARBONYL)-OXY]-3-ALPHA,6-BETA-DIMETHYL-2-OXOOCTAHYDRO-2H-CYCLOHEPTA-[B]-FURAN-3-BETA-CARBOXYLAT
SpectraBase Compound ID 8jboHm1ZAW5
InChI InChI=1S/C16H24O5S2/c1-5-19-13(17)16(3)10-7-6-9(2)8-11(20-15(22)23-4)12(10)21-14(16)18/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12+,16-/m0/s1
InChIKey NFTGGAZEWMLGOC-OYLDRBDASA-N
Mol Weight 360.48 g/mol
Molecular Formula C16H24O5S2
Exact Mass 360.106516 g/mol
Enantiomer InChIKey NFTGGAZEWMLGOC-OYFAQSGBSA-N

View Spectrum of #14;(+/-)-(3A-ALPHA,8A-ALPHA)-ETHYL-8-BETA-[(METHYLTHIO)-(THIOCARBONYL)-OXY]-3-ALPHA,6-BETA-DIMETHYL-2-OXOOCTAHYDRO-2H-CYCLOHEPTA-[B]-FURAN-3-BETA-CARBOXYLAT

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
1-ETHOXYCARBONYL-4-METHYL-6-(1-CYCLOHEXENYL)-3-OXABICYCLO[3.1.0]HEXAN-2-ONE
9-BETA-HYDROXY-1-BETA,10-ALPHA;4-ALPHA,5-BETA-DIEPOXY-GERMACRAN-6-BETA,11-BETA-H-12,6-OLIDE
(4AR, 5S,6S,7S,8aS)-2-benzyl-7-(2-ethyl-hexanoyloxy-perhydro-isoquinoline
Botcinin D
BOTICIN_D
OBLONGOLIDE-J;(5R,5AS,7S,9AS,9BR)-5,5A,6,7,8,9,9A,9B-OCTAHYDRO-5-HYDROXY-7,9B-DIMETHYLNAPHTHO-[1,2-C]-FURAN-1(3H)-ONE
OBLONGOLIDE-K;(5S,5AS,7S,9AS,9BR)-5,5A,6,7,8,9,9A,9B-OCTAHYDRO-5-HYDROXY-7,9B-DIMETHYLNAPHTHO-[1,2-C]-FURAN-1(3H)-ONE
3-Oxo-14-acetoxy-5.alpha.H,4,6,11.beta.H-eudesman-12,6-olide
3-O-ACETYL-2-EPI-BOTCINOLIDE
Ethyl 2-acetoxy-3,4-dihydroxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1S,2R,3R,4R,6R)-cyclohexane-1-carboxylate
Title Journal or Book Year
A Novel Synthetic Method of the (±)-(3aα,8aα)-Ethyl 8β-Hydroxy-6β-methyl-2-oxooctahydro-2H-cyclohepta[b]furan-3α- carboxylate and Its Chemical Transformation to (±)-(3aα,8aα)-3α,6β-Dimethyl-3,3a,4,5,6,8a-hexahydro-2H- cyclohepta[b]furan-2-one, (+)- and (−)-7β-(2-Acetoxy-1α-methylethyl)-4β-methyl-2-cyclohepten-1β-ol, and (+)- and (−)-7β-(2-Acetoxy-1α-methylethyl)-4β-methyl-2-cyclohepten-1-one. Possible Common Synthetic Intermediates for Pseudoguaianolides, 4,5-Secopseudoguaianolides, Guaianolides, 4,5-Secoguaianolides, and Octalactins The Journal of Organic Chemistry 1998
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.