SCABEROSIDE-HB2;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)

SpectraBase Compound ID	4UIVNHhoxsB
InChI	InChI=1S/C64H102O30/c1-24-35(69)37(71)42(76)54(86-24)91-48-30(67)23-85-57(50(48)93-55-44(78)40(74)46(25(2)87-55)89-53-45(79)47(29(66)22-84-53)90-52-41(75)36(70)28(65)21-83-52)94-58(81)64-18-17-59(3,4)19-27(64)26-11-12-32-61(7)15-14-34(88-56-43(77)38(72)39(73)49(92-56)51(80)82-10)60(5,6)31(61)13-16-62(32,8)63(26,9)20-33(64)68/h11,24-25,27-50,52-57,65-79H,12-23H2,1-10H3/t24-,25+,27?,28+,29+,30-,31?,32?,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+,46+,47-,48+,49+,50-,52-,53-,54-,55+,56-,57+,61+,62-,63-,64-/m1/s1
InChIKey	PXTDEPQWNJEWAT-AYJMIUKASA-N Google Search
Mol Weight	1351.5 g/mol
Molecular Formula	C64H102O30
Exact Mass	1350.645592 g/mol

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SpectraBase Spectrum ID	ChkAmkQB8vy
Name	SCABEROSIDE-HB2;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)
Compound Number	28
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C64H102O30
InChI	InChI=1S/C64H102O30/c1-24-35(69)37(71)42(76)54(86-24)91-48-30(67)23-85-57(50(48)93-55-44(78)40(74)46(25(2)87-55)89-53-45(79)47(29(66)22-84-53)90-52-41(75)36(70)28(65)21-83-52)94-58(81)64-18-17-59(3,4)19-27(64)26-11-12-32-61(7)15-14-34(88-56-43(77)38(72)39(73)49(92-56)51(80)82-10)60(5,6)31(61)13-16-62(32,8)63(26,9)20-33(64)68/h11,24-25,27-50,52-57,65-79H,12-23H2,1-10H3/t24-,25+,27?,28+,29+,30-,31?,32?,33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45+,46+,47-,48+,49+,50-,52-,53-,54-,55+,56-,57+,61+,62-,63-,64-/m1/s1
InChIKey	PXTDEPQWNJEWAT-AYJMIUKASA-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	1351.496 g/mol
Solvent	C5D5N
Source File Reference	UWVN1042