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TRAGOPOGONOSIDE-E;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1-3)-XYLOPYRANOSYL]-
SpectraBase Compound ID 1VSI2ixwIvr
InChI InChI=1S/C54H86O24/c1-49(2)15-16-54(48(69)78-44-39(67)40(24(57)21-71-44)75-45-37(65)33(61)31(59)25(19-55)72-45)23(17-49)22-9-10-28-51(5)13-12-30(50(3,4)27(51)11-14-52(28,6)53(22,7)18-29(54)58)74-47-42(36(64)35(63)41(76-47)43(68)70-8)77-46-38(66)34(62)32(60)26(20-56)73-46/h9,23-42,44-47,55-67H,10-21H2,1-8H3/t23?,24-,25-,26-,27?,28?,29-,30+,31-,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,44+,45+,46+,47-,51+,52-,53-,54-/m1/s1
InChIKey TYFSWRSLMZFDLH-YKLRMEQQSA-N
Mol Weight 1119.3 g/mol
Molecular Formula C54H86O24
Exact Mass 1118.550904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L61UzuCwUkR
Name TRAGOPOGONOSIDE-E;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1-3)-XYLOPYRANOSYL]-
Compound Number 180
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O24
InChI InChI=1S/C54H86O24/c1-49(2)15-16-54(48(69)78-44-39(67)40(24(57)21-71-44)75-45-37(65)33(61)31(59)25(19-55)72-45)23(17-49)22-9-10-28-51(5)13-12-30(50(3,4)27(51)11-14-52(28,6)53(22,7)18-29(54)58)74-47-42(36(64)35(63)41(76-47)43(68)70-8)77-46-38(66)34(62)32(60)26(20-56)73-46/h9,23-42,44-47,55-67H,10-21H2,1-8H3/t23?,24-,25-,26-,27?,28?,29-,30+,31-,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,44+,45+,46+,47-,51+,52-,53-,54-/m1/s1
InChIKey TYFSWRSLMZFDLH-YKLRMEQQSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 1119.262 g/mol
Solvent C5D5N
Source File Reference UWVN1076