SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER

SpectraBase Compound ID	7uQUTLLBc0G
InChI	InChI=1S/C53H84O22/c1-22-39(72-43-36(62)31(57)25(54)20-68-43)35(61)38(64)44(70-22)74-41-32(58)26(55)21-69-46(41)75-47(66)53-17-16-48(2,3)18-24(53)23-10-11-28-50(6)14-13-30(71-45-37(63)33(59)34(60)40(73-45)42(65)67-9)49(4,5)27(50)12-15-51(28,7)52(23,8)19-29(53)56/h10,22,24-41,43-46,54-64H,11-21H2,1-9H3/t22-,24?,25-,26+,27?,28?,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41+,43+,44-,45+,46-,50-,51+,52+,53+/m0/s1
InChIKey	CQOWKXHYGFCJHS-WFJJVFDFSA-N Google Search
Mol Weight	1073.2 g/mol
Molecular Formula	C53H84O22
Exact Mass	1072.545424 g/mol

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SpectraBase Spectrum ID	4imuqmci6HN
Name	SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER
Compound Number	43
Copyright	Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C53H84O22
InChI	InChI=1S/C53H84O22/c1-22-39(72-43-36(62)31(57)25(54)20-68-43)35(61)38(64)44(70-22)74-41-32(58)26(55)21-69-46(41)75-47(66)53-17-16-48(2,3)18-24(53)23-10-11-28-50(6)14-13-30(71-45-37(63)33(59)34(60)40(73-45)42(65)67-9)49(4,5)27(50)12-15-51(28,7)52(23,8)19-29(53)56/h10,22,24-41,43-46,54-64H,11-21H2,1-9H3/t22-,24?,25-,26+,27?,28?,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41+,43+,44-,45+,46-,50-,51+,52+,53+/m0/s1
InChIKey	CQOWKXHYGFCJHS-WFJJVFDFSA-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	1073.237 g/mol
Solvent	C5D5N
Source File Reference	UWVN1051