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TRANSSYLVANOSIDE-G;3-0-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-HEDERAGENIN
SpectraBase Compound ID DH09UTXZBUk
InChI InChI=1S/C64H104O31/c1-25-36(70)50(93-55-47(81)43(77)49(31(21-67)89-55)92-54-46(80)42(76)39(73)30(20-66)88-54)48(82)56(86-25)94-51-37(71)28(69)22-84-57(51)91-35-11-12-60(4)33(61(35,5)24-68)10-13-63(7)34(60)9-8-26-27-18-59(2,3)14-16-64(27,17-15-62(26,63)6)58(83)95-52-44(78)40(74)32(23-85-52)90-53-45(79)41(75)38(72)29(19-65)87-53/h8,25,27-57,65-82H,9-24H2,1-7H3/t25-,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-,53-,54+,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1
InChIKey QAVHNJDMPDFNAD-SLMJCDBFSA-N
Mol Weight 1369.5 g/mol
Molecular Formula C64H104O31
Exact Mass 1368.656157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kLnYVqmQlz
Name TRANSSYLVANOSIDE-G;3-0-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-HEDERAGENIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O31
InChI InChI=1S/C64H104O31/c1-25-36(70)50(93-55-47(81)43(77)49(31(21-67)89-55)92-54-46(80)42(76)39(73)30(20-66)88-54)48(82)56(86-25)94-51-37(71)28(69)22-84-57(51)91-35-11-12-60(4)33(61(35,5)24-68)10-13-63(7)34(60)9-8-26-27-18-59(2,3)14-16-64(27,17-15-62(26,63)6)58(83)95-52-44(78)40(74)32(23-85-52)90-53-45(79)41(75)38(72)29(19-65)87-53/h8,25,27-57,65-82H,9-24H2,1-7H3/t25-,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-,53-,54+,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1
InChIKey QAVHNJDMPDFNAD-SLMJCDBFSA-N
Literature Reference Author S.KIRMIZIGUEL,H.ANIL,M.E.ROSE
Literature Reference Citation J.NAT.PROD.,59,415(1996)
Literature Reference DOI 10.1021/np960193x
Molecular Weight 1369.511 g/mol
Solvent PYRIDINE-D5
Source File Reference UWVP2450