John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JEqUYdNYwUb SpectraBase Spectrum ID=2vMIPucF080

(accessed ).
METHYL-1-ALPHA,6,8-ALPHA,14-BETA,30-BETA-PENTAHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYClOMELIAC-7-OATE
SpectraBase Compound ID JEqUYdNYwUb
InChI InChI=1S/C27H34O11/c1-22-11-25(33)15(18(22)30)19(31)27(35)13(24(25,3)17(22)16(29)21(32)36-4)5-7-23(2)20(12-6-8-37-10-12)38-14(28)9-26(23,27)34/h6,8,10,13,15-17,19-20,29,31,33-35H,5,7,9,11H2,1-4H3/t13?,15-,16?,17+,19+,20+,22-,23+,24-,25+,26-,27+/m1/s1
InChIKey ULRUSPPUNNVTCI-KIZXVNQYSA-N
Mol Weight 534.6 g/mol
Molecular Formula C27H34O11
Exact Mass 534.210112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vMIPucF080
Name METHYL-1-ALPHA,6,8-ALPHA,14-BETA,30-BETA-PENTAHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYClOMELIAC-7-OATE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O11
InChI InChI=1S/C27H34O11/c1-22-11-25(33)15(18(22)30)19(31)27(35)13(24(25,3)17(22)16(29)21(32)36-4)5-7-23(2)20(12-6-8-37-10-12)38-14(28)9-26(23,27)34/h6,8,10,13,15-17,19-20,29,31,33-35H,5,7,9,11H2,1-4H3/t13?,15-,16?,17+,19+,20+,22-,23+,24-,25+,26-,27+/m1/s1
InChIKey ULRUSPPUNNVTCI-KIZXVNQYSA-N
Literature Reference Author L.R.V.OLMO,M.F.D.G.F.D.SILVA,E.R.FO,P.C.VIEIRA,J.B.FERNANDES ,A.L.PINHEIRO,E.F.VI
Literature Reference Citation PHYTOCHEM.,44,1157(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00571-7
Molecular Weight 534.560 g/mol
Solvent Unknown
Source File Reference UWPA434
SpectraBase Batch ID 1cfBPIXmrZi