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DIANVERSICOSIDE_F;23-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-ALPHA-DIHYDROXYOLEAN-12-EN-23-ALPHA,28-BETA-DIOIC_ACID_28-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]
SpectraBase Compound ID AIcIgCYcFn2
InChI InChI=1S/C54H86O26/c1-49(2)13-14-54(48(72)80-45-41(70)37(66)34(63)26(77-45)20-73-46-42(38(67)33(62)25(19-57)76-46)78-43-39(68)35(64)31(60)23(17-55)74-43)22(15-49)21-7-8-27-50(3)11-10-29(58)53(6,28(50)9-12-51(27,4)52(21,5)16-30(54)59)47(71)79-44-40(69)36(65)32(61)24(18-56)75-44/h7,22-46,55-70H,8-20H2,1-6H3/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46-,50+,51+,52+,53-,54+/m0/s1
InChIKey VBBKYJHEVPBGBQ-RERBNGIMSA-N
Mol Weight 1151.3 g/mol
Molecular Formula C54H86O26
Exact Mass 1150.540733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gqXTyoBjwV
Name DIANVERSICOSIDE_F;23-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-ALPHA-DIHYDROXYOLEAN-12-EN-23-ALPHA,28-BETA-DIOIC_ACID_28-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O26
InChI InChI=1S/C54H86O26/c1-49(2)13-14-54(48(72)80-45-41(70)37(66)34(63)26(77-45)20-73-46-42(38(67)33(62)25(19-57)76-46)78-43-39(68)35(64)31(60)23(17-55)74-43)22(15-49)21-7-8-27-50(3)11-10-29(58)53(6,28(50)9-12-51(27,4)52(21,5)16-30(54)59)47(71)79-44-40(69)36(65)32(61)24(18-56)75-44/h7,22-46,55-70H,8-20H2,1-6H3/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46-,50+,51+,52+,53-,54+/m0/s1
InChIKey VBBKYJHEVPBGBQ-RERBNGIMSA-N
Literature Reference Author L.MA,Y.C.GU,J.G.LUO,J.S.WANG,X.F.HUANG,L.Y.KONG
Literature Reference Citation J.NAT.PROD.,72,640(2009)
Literature Reference DOI 10.1021/np800589a
Molecular Weight 1151.261 g/mol
Sample ID 32377
Solvent C5D5N