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RUBUSIDE_D;2-ALPHA,3-BETA-DIHYDROXY-URS-12,19-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 64zG6vuJH5K
InChI InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
InChIKey GWYQGWNTTYSJEW-WAZFAAFDSA-N
Mol Weight 632.8 g/mol
Molecular Formula C36H56O9
Exact Mass 632.392433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1YWK2xResr
Name RUBUSIDE_D;2-ALPHA,3-BETA-DIHYDROXY-URS-12,19-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O9
InChI InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
InChIKey GWYQGWNTTYSJEW-WAZFAAFDSA-N
Literature Reference Author W.LI,H.FU,H.BAI,T.SASAKI,H.KATO,K.KOIKE
Literature Reference Citation J.NAT.PROD.,72,1755(2009)
Literature Reference DOI 10.1021/np900237a
Molecular Weight 632.835 g/mol
Sample ID 33618
Solvent C5D5N