SCABEROSIDE-A3;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)

SpectraBase Compound ID	I3htds3GaKj
InChI	InChI=1S/C58H92O26/c1-24-40(80-46-37(67)33(63)27(60)20-75-46)41(81-50-44(70)57(73,22-59)23-77-50)39(69)48(78-24)83-43-34(64)28(61)21-76-49(43)84-51(72)58-17-16-52(2,3)18-26(58)25-10-11-30-54(6)14-13-32(79-47-38(68)35(65)36(66)42(82-47)45(71)74-9)53(4,5)29(54)12-15-55(30,7)56(25,8)19-31(58)62/h10,24,26-44,46-50,59-70,73H,11-23H2,1-9H3/t24-,26?,27+,28-,29?,30?,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,46-,47+,48-,49-,50-,54-,55+,56+,57+,58+/m0/s1
InChIKey	OOAPEJATVYBYAK-PJZXMGQYSA-N Google Search
Mol Weight	1205.3 g/mol
Molecular Formula	C58H92O26
Exact Mass	1204.587683 g/mol

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SpectraBase Spectrum ID	LTgoW7lybFR
Name	SCABEROSIDE-A3;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)
Compound Number	44
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C58H92O26
InChI	InChI=1S/C58H92O26/c1-24-40(80-46-37(67)33(63)27(60)20-75-46)41(81-50-44(70)57(73,22-59)23-77-50)39(69)48(78-24)83-43-34(64)28(61)21-76-49(43)84-51(72)58-17-16-52(2,3)18-26(58)25-10-11-30-54(6)14-13-32(79-47-38(68)35(65)36(66)42(82-47)45(71)74-9)53(4,5)29(54)12-15-55(30,7)56(25,8)19-31(58)62/h10,24,26-44,46-50,59-70,73H,11-23H2,1-9H3/t24-,26?,27+,28-,29?,30?,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,46-,47+,48-,49-,50-,54-,55+,56+,57+,58+/m0/s1
InChIKey	OOAPEJATVYBYAK-PJZXMGQYSA-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	1205.353 g/mol
Solvent	C5D5N
Source File Reference	UWVN1052