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#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
1.alpha.-(Angeloyloxy)-6.beta.-hydroxy-8.beta.-methoxy-10.beta.H-eremophil-7(11)-en-8.alpha.,12-olide
(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
Benzo[f]isoindole-1,3-dione, 2,3,3a,4,9,9a-hexahydro-4,9-(1-oxoethano)-2-(2-pyridyl)-
2-(pyridin-2-yl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
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
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