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NOVAEGUINOSIDE_I;SODIUM_(20-R,22-R,23-S,24-S)-6-ALPHA-O-{BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-B

View entire compound with spectra: 1 NMR

NOVAEGUINOSIDE_I;SODIUM_(20-R,22-R,23-S,24-S)-6-ALPHA-O-{BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-B
SpectraBase Compound ID B92puZFYTqQ
InChI InChI=1S/C58H96O28S.Na/c1-20(2)21(3)45-50(81-45)58(10,71)33-12-11-28-27-18-31(30-17-26(86-87(72,73)74)13-15-56(30,8)29(27)14-16-57(28,33)9)79-53-44(70)47(37(63)32(19-59)80-53)83-55-49(85-52-42(68)39(65)35(61)23(5)76-52)43(69)46(25(7)78-55)82-54-48(40(66)36(62)24(6)77-54)84-51-41(67)38(64)34(60)22(4)75-51;/h14,20-28,30-55,59-71H,11-13,15-19H2,1-10H3,(H,72,73,74);/q;+1/p-1/t21-,22+,23+,24-,25+,26+,27?,28?,30?,31+,32+,33+,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45-,46+,47-,48-,49+,50-,51-,52-,53+,54+,55-,56-,57+,58?;/m1./s1
InChIKey CPBJVSRSPDOFCH-PLXPNZRLSA-M
Mol Weight 1295.4 g/mol
Molecular Formula C58H95NaO28S
Exact Mass 1294.562828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfKfYMCgWYI
Name NOVAEGUINOSIDE_I;SODIUM_(20-R,22-R,23-S,24-S)-6-ALPHA-O-{BETA-D-FUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->4)-[BETA-D-QUINOVOPYRANOSYL-(1->2)]-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H95NaO28S
InChI InChI=1S/C58H96O28S.Na/c1-20(2)21(3)45-50(81-45)58(10,71)33-12-11-28-27-18-31(30-17-26(86-87(72,73)74)13-15-56(30,8)29(27)14-16-57(28,33)9)79-53-44(70)47(37(63)32(19-59)80-53)83-55-49(85-52-42(68)39(65)35(61)23(5)76-52)43(69)46(25(7)78-55)82-54-48(40(66)36(62)24(6)77-54)84-51-41(67)38(64)34(60)22(4)75-51;/h14,20-28,30-55,59-71H,11-13,15-19H2,1-10H3,(H,72,73,74);/q;+1/p-1/t21-,22+,23+,24-,25+,26+,27?,28?,30?,31+,32+,33+,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45-,46+,47-,48-,49+,50-,51-,52-,53+,54+,55-,56-,57+,58?;/m1./s1
InChIKey CPBJVSRSPDOFCH-PLXPNZRLSA-M
Literature Reference Author H.F.TANG,Y.H.YI,L.LI,P.SUN,S.Q.ZHANG,Y.P.ZHAO
Literature Reference Citation J.NAT.PROD.,68,337(2005)
Literature Reference DOI 10.1021/np0401617
Molecular Weight 1295.425 g/mol
Solvent C5D5N
Source File Reference UWMZ7672