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RUBUSIDE_A;2-ALPHA,3-BETA-DIHYDROXY-URS-12,18-DIEN-28_OIC_ACID28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 51PLh51DPSf
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/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
InChIKey OFWIRPXDLBDEFC-NRAYHWQBSA-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 2X7iDonhgar
Name RUBUSIDE_A;2-ALPHA,3-BETA-DIHYDROXY-URS-12,18-DIEN-28_OIC_ACID28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
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/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
InChIKey OFWIRPXDLBDEFC-NRAYHWQBSA-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 33614
Solvent C5D5N