NEOHECOGENIN_3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE

SpectraBase Compound ID	1cEcvYgk2hH
InChI	InChI=1S/C50H80O22/c1-19-8-11-50(64-17-19)20(2)32-28(72-50)13-26-24-7-6-22-12-23(9-10-48(22,4)25(24)14-31(54)49(26,32)5)66-47-43(71-45-38(60)36(58)33(55)21(3)65-45)39(61)41(30(16-52)68-47)69-46-40(62)42(35(57)29(15-51)67-46)70-44-37(59)34(56)27(53)18-63-44/h19-30,32-47,51-53,55-62H,6-18H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43+,44-,45-,46-,47+,48-,49+,50+/m0/s1
InChIKey	QLDAJUJBQAWJRN-IHHZXFBDSA-N Google Search
Mol Weight	1033.2 g/mol
Molecular Formula	C50H80O22
Exact Mass	1032.514124 g/mol

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SpectraBase Spectrum ID	5PyDUxfq2Co
Name	NEOHECOGENIN_3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE
Compound Number	2B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C50H80O22
InChI	InChI=1S/C50H80O22/c1-19-8-11-50(64-17-19)20(2)32-28(72-50)13-26-24-7-6-22-12-23(9-10-48(22,4)25(24)14-31(54)49(26,32)5)66-47-43(71-45-38(60)36(58)33(55)21(3)65-45)39(61)41(30(16-52)68-47)69-46-40(62)42(35(57)29(15-51)67-46)70-44-37(59)34(56)27(53)18-63-44/h19-30,32-47,51-53,55-62H,6-18H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43+,44-,45-,46-,47+,48-,49+,50+/m0/s1
InChIKey	QLDAJUJBQAWJRN-IHHZXFBDSA-N
Literature Reference Author	X.C.LI,D.Z.WANG,C.R.YANG
Literature Reference Citation	PHYTOCHEM.,29,3893(1990)
Literature Reference DOI	10.1016/0031-9422(90)85354-I
Molecular Weight	1033.172 g/mol
Solvent	C5D5N
Source File Reference	UWMZ19524