SCABEROSIDE-HB1;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1

SpectraBase Compound ID	94f19APyEL5
InChI	InChI=1S/C59H94O26/c1-23-33(63)35(65)40(70)49(78-23)82-44-28(61)22-77-52(46(44)84-50-42(72)38(68)43(24(2)79-50)81-48-39(69)34(64)27(60)21-76-48)85-53(74)59-18-17-54(3,4)19-26(59)25-11-12-30-56(7)15-14-32(80-51-41(71)36(66)37(67)45(83-51)47(73)75-10)55(5,6)29(56)13-16-57(30,8)58(25,9)20-31(59)62/h11,23-24,26-46,48-52,60-72H,12-22H2,1-10H3/t23-,24+,26?,27+,28-,29?,30?,31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,43+,44+,45+,46-,48-,49-,50+,51-,52+,56+,57-,58-,59-/m1/s1
InChIKey	LJZZPYJOLRHFOS-NYYQERDPSA-N Google Search
Mol Weight	1219.4 g/mol
Molecular Formula	C59H94O26
Exact Mass	1218.603333 g/mol

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SpectraBase Spectrum ID	863CunOoOgY
Name	SCABEROSIDE-HB1;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1
Compound Number	27
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C59H94O26
InChI	InChI=1S/C59H94O26/c1-23-33(63)35(65)40(70)49(78-23)82-44-28(61)22-77-52(46(44)84-50-42(72)38(68)43(24(2)79-50)81-48-39(69)34(64)27(60)21-76-48)85-53(74)59-18-17-54(3,4)19-26(59)25-11-12-30-56(7)15-14-32(80-51-41(71)36(66)37(67)45(83-51)47(73)75-10)55(5,6)29(56)13-16-57(30,8)58(25,9)20-31(59)62/h11,23-24,26-46,48-52,60-72H,12-22H2,1-10H3/t23-,24+,26?,27+,28-,29?,30?,31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,43+,44+,45+,46-,48-,49-,50+,51-,52+,56+,57-,58-,59-/m1/s1
InChIKey	LJZZPYJOLRHFOS-NYYQERDPSA-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	1219.380 g/mol
Solvent	C5D5N
Source File Reference	UWVN1041