ESCIN_IB;21-ANGELOYL-22-ACETYLPROTOAESCIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDURONIC_ACID

SpectraBase Compound ID	3KzXiCxg4Q5
InChI	InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39-,40-,41+,42-,43-,44-,47+,48-,49+,51-,52+,53+,54+,55-/m0/s1
InChIKey	AXNVHPCVMSNXNP-XWFWXCQOSA-N Google Search
Mol Weight	1131.3 g/mol
Molecular Formula	C55H86O24
Exact Mass	1130.550904 g/mol

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SpectraBase Spectrum ID	ASS2ZhhDSCO
Name	ESCIN-IB
Compound Number	4
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C55H86O24
InChI	InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39-,40-,41+,42-,43-,44-,47+,48-,49+,51-,52+,53+,54+,55-/m0/s1
InChIKey	AXNVHPCVMSNXNP-XWFWXCQOSA-N
Literature Reference Author	J.GUO,X.W.YANG
Literature Reference Citation	J.CHIN.PHARM.SCI.,13,87(2004)
Molecular Weight	1131.273 g/mol
Source File Reference	UWIR7510