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SCABEROSIDE-HA;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-E
SpectraBase Compound ID FyYE4sU0jiJ
InChI InChI=1S/C54H86O22/c1-22-31(57)33(59)37(63)44(70-22)73-40-26(55)21-69-47(42(40)75-45-38(64)34(60)32(58)23(2)71-45)76-48(67)54-18-17-49(3,4)19-25(54)24-11-12-28-51(7)15-14-30(72-46-39(65)35(61)36(62)41(74-46)43(66)68-10)50(5,6)27(51)13-16-52(28,8)53(24,9)20-29(54)56/h11,22-23,25-42,44-47,55-65H,12-21H2,1-10H3/t22-,23+,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 CNHOJTDSJVHXTH-HTLUDZTRSA-N
Mol Weight 1087.3 g/mol
Molecular Formula C54H86O22
Exact Mass 1086.561074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VZYxBuQ4Xl
Name SCABEROSIDE-HA;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-E
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O22
InChI InChI=1S/C54H86O22/c1-22-31(57)33(59)37(63)44(70-22)73-40-26(55)21-69-47(42(40)75-45-38(64)34(60)32(58)23(2)71-45)76-48(67)54-18-17-49(3,4)19-25(54)24-11-12-28-51(7)15-14-30(72-46-39(65)35(61)36(62)41(74-46)43(66)68-10)50(5,6)27(51)13-16-52(28,8)53(24,9)20-29(54)56/h11,22-23,25-42,44-47,55-65H,12-21H2,1-10H3/t22-,23+,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 CNHOJTDSJVHXTH-HTLUDZTRSA-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 1087.264 g/mol
Solvent C5D5N
Source File Reference UWVN1040