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RUBUSIDE_C;2-ALPHA,3-ALPHA,23-TRIHYDROXY-URS-12,18-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 85VSeg1mqcW
InChI InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1
InChIKey YUQOBDWWVKXUMV-DUHBLQKFSA-N
Mol Weight 648.8 g/mol
Molecular Formula C36H56O10
Exact Mass 648.387348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtiQnK1CiNr
Name RUBUSIDE_C;2-ALPHA,3-ALPHA,23-TRIHYDROXY-URS-12,18-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O10
InChI InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1
InChIKey YUQOBDWWVKXUMV-DUHBLQKFSA-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 648.835 g/mol
Sample ID 33616
Solvent C5D5N