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DIANVERSICOSIDE_A;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 5mZBDFzhSjR
InChI InChI=1S/C60H94O30/c1-54(2)14-15-60(25(16-54)24-8-9-30-56(4)12-11-32(63)59(7,31(56)10-13-57(30,5)58(24,6)17-33(60)64)52(79)89-49-45(77)41(73)37(69)27(21-62)85-49)53(80)90-50-46(78)42(74)38(70)29(86-50)23-83-51-47(88-48-44(76)40(72)36(68)26(20-61)84-48)43(75)39(71)28(87-51)22-82-35(67)19-55(3,81)18-34(65)66/h8,25-33,36-51,61-64,68-78,81H,9-23H2,1-7H3,(H,65,66)/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45+,46-,47-,48+,49-,50+,51-,55-,56+,57+,58+,59+,60+/m0/s1
InChIKey IJSZPFMPQUDYPI-GXPPCQERSA-N
Mol Weight 1295.4 g/mol
Molecular Formula C60H94O30
Exact Mass 1294.582992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrQoYKvsxYG
Name DIANVERSICOSIDE_A;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 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H94O30
InChI InChI=1S/C60H94O30/c1-54(2)14-15-60(25(16-54)24-8-9-30-56(4)12-11-32(63)59(7,31(56)10-13-57(30,5)58(24,6)17-33(60)64)52(79)89-49-45(77)41(73)37(69)27(21-62)85-49)53(80)90-50-46(78)42(74)38(70)29(86-50)23-83-51-47(88-48-44(76)40(72)36(68)26(20-61)84-48)43(75)39(71)28(87-51)22-82-35(67)19-55(3,81)18-34(65)66/h8,25-33,36-51,61-64,68-78,81H,9-23H2,1-7H3,(H,65,66)/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45+,46-,47-,48+,49-,50+,51-,55-,56+,57+,58+,59+,60+/m0/s1
InChIKey IJSZPFMPQUDYPI-GXPPCQERSA-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 1295.388 g/mol
Sample ID 32372
Solvent C5D5N