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DIANVERSICOSIDE_E;23-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-ALPHA-DIHYDROXYOLEAN-12-EN-23-ALPHA,28-BETA-DIOIC_ACID_28-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]
SpectraBase Compound ID Hg3Pjbn5rnT
InChI InChI=1S/C60H96O31/c1-55(2)13-14-60(23(15-55)22-7-8-29-56(3)11-10-31(65)59(6,30(56)9-12-57(29,4)58(22,5)16-32(60)66)53(80)90-50-44(78)40(74)35(69)26(19-63)85-50)54(81)91-51-45(79)46(88-48-42(76)38(72)33(67)24(17-61)83-48)37(71)28(87-51)21-82-52-47(41(75)36(70)27(20-64)86-52)89-49-43(77)39(73)34(68)25(18-62)84-49/h7,23-52,61-79H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49-,50-,51-,52+,56+,57+,58+,59-,60+/m0/s1
InChIKey JGRYZOSHBHWVJX-MNCLTPRQSA-N
Mol Weight 1313.4 g/mol
Molecular Formula C60H96O31
Exact Mass 1312.593556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44QJlxCqb12
Name DIANVERSICOSIDE_E;23-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-ALPHA-DIHYDROXYOLEAN-12-EN-23-ALPHA,28-BETA-DIOIC_ACID_28-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H96O31
InChI InChI=1S/C60H96O31/c1-55(2)13-14-60(23(15-55)22-7-8-29-56(3)11-10-31(65)59(6,30(56)9-12-57(29,4)58(22,5)16-32(60)66)53(80)90-50-44(78)40(74)35(69)26(19-63)85-50)54(81)91-51-45(79)46(88-48-42(76)38(72)33(67)24(17-61)83-48)37(71)28(87-51)21-82-52-47(41(75)36(70)27(20-64)86-52)89-49-43(77)39(73)34(68)25(18-62)84-49/h7,23-52,61-79H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49-,50-,51-,52+,56+,57+,58+,59-,60+/m0/s1
InChIKey JGRYZOSHBHWVJX-MNCLTPRQSA-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 1313.404 g/mol
Sample ID 32376
Solvent C5D5N