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3-methylbut-2-enoic acid [(3R,5R,7R,8R,9R,10S,13S,17S)-7-hydroxy-17-[(3S,5R,6R)-5-hydroxy-6-(1-hydroxy-1-methyl-ethyl)tetrahydropyran-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester

Compound with spectra: 1 NMR

3-methylbut-2-enoic acid [(3R,5R,7R,8R,9R,10S,13S,17S)-7-hydroxy-17-[(3S,5R,6R)-5-hydroxy-6-(1-hydroxy-1-methyl-ethyl)tetrahydropyran-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
SpectraBase Compound ID G1Nd9rtz3Y1
InChI InChI=1S/C35H56O6/c1-20(2)16-29(38)41-28-13-15-34(8)25-12-14-33(7)22(21-17-23(36)30(40-19-21)32(5,6)39)10-11-24(33)35(25,9)27(37)18-26(34)31(28,3)4/h11,16,21-23,25-28,30,36-37,39H,10,12-15,17-19H2,1-9H3/t21-,22+,23-,25-,26+,27-,28-,30-,33+,34-,35+/m1/s1
InChIKey SUMSMGMHAXRNEQ-CJWUIFORSA-N
Mol Weight 572.8 g/mol
Molecular Formula C35H56O6
Exact Mass 572.40769 g/mol
Enantiomer InChIKey SUMSMGMHAXRNEQ-HUADSLOSSA-N

View Spectrum of 3-methylbut-2-enoic acid [(3R,5R,7R,8R,9R,10S,13S,17S)-7-hydroxy-17-[(3S,5R,6R)-5-hydroxy-6-(1-hydroxy-1-methyl-ethyl)tetrahydropyran-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Apotirucallane and Tirucallane Triterpenoids from Cedrela sinensis Chemical and Pharmaceutical Bulletin 2007
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