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

*Links on SpectraBase are not permalinks.

#SI-12;(2S,5S,6S,13S,9E)-5-[N-BENZYL-N-[3-BENZYLOXY-(2-R)-2-HYDROXYPROPYL]-AMINOMETHYL]-5,13-DIHYDROXY-6,10-DIMETHYLTRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,1

Compound with spectra: 1 NMR

#SI-12;(2S,5S,6S,13S,9E)-5-[N-BENZYL-N-[3-BENZYLOXY-(2-R)-2-HYDROXYPROPYL]-AMINOMETHYL]-5,13-DIHYDROXY-6,10-DIMETHYLTRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,1
SpectraBase Compound ID J1vkn4eAoX5
InChI InChI=1S/C45H55NO5S/c1-32-11-10-23-44(3)41(39-20-18-36(25-37(47)19-16-32)26-40(39)43(49)42-21-17-33(2)52-42)22-24-45(44,50)31-46(27-34-12-6-4-7-13-34)28-38(48)30-51-29-35-14-8-5-9-15-35/h4-9,11-15,17-18,20-21,26,37-38,41,47-48,50H,10,16,19,22-25,27-31H2,1-3H3/b32-11+/t37-,38+,41-,44-,45+/m0/s1
InChIKey GKVVZEZPCXVRGZ-MMSMDUHOSA-N
Mol Weight 722.0 g/mol
Molecular Formula C45H55NO5S
Exact Mass 721.380095 g/mol
Enantiomer InChIKey GKVVZEZPCXVRGZ-OGKIBPIRSA-N

View Spectrum of #SI-12;(2S,5S,6S,13S,9E)-5-[N-BENZYL-N-[3-BENZYLOXY-(2-R)-2-HYDROXYPROPYL]-AMINOMETHYL]-5,13-DIHYDROXY-6,10-DIMETHYLTRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,1

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
#SI-9;(2S,5S,6S,13S,9E)-5-[4-(4-FLUOROPHENYL)-PIPERAZIN-1-YLMETHYL]-5,13-DIHYDROXY-6,10-DIMETHYLTRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAEN-17-YL-5
#SI-8;(2S,5S,6S,13S,9E)-5,13-DIHYDROXY-6,10-DIMETHYL-5-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-TRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAE
MICRODONTIN-A
3-Formyl-4-furyl-2-hydroxy-2-methyl-5-nitro-6-phenylcyclohexanecarboxylic acid methyl ester
(E)-(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl 2-methylbut-2-enoate
1.alpha.-(Angeloyloxy)-6.beta.-hydroxy-8.beta.-methoxy-10.beta.H-eremophil-7(11)-en-8.alpha.,12-olide
2-(pyridin-2-yl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
Benzo[f]isoindole-1,3-dione, 2,3,3a,4,9,9a-hexahydro-4,9-(1-oxoethano)-2-(2-pyridyl)-
10-Phenylcarbonyl-4-(4'-phenylcarbonylphenyl)-1-n-octyl-1H-phenanthro [9,10-d]-1,2,3-triazole
1,4-Epoxynaphthalene, 1,5,7-tris(1,1-dimethylethyl)-1,4-dihydro-4-(phenylmethyl)-
Title Journal or Book Year
Small-Molecule Diversity Using a Skeletal Transformation Strategy Organic Letters 2005
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.