#1;ISACOSIDE;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL-(1->4)

SpectraBase Compound ID	13cp4ndbmqz
InChI	InChI=1S/C64H104O30/c1-25-36(69)40(73)44(77)53(85-25)91-48-29(68)22-83-57(51(48)94-55-46(79)42(75)49(31(21-66)88-55)92-56-47(80)50(37(70)26(2)86-56)93-54-45(78)41(74)38(71)30(20-65)87-54)89-32-23-84-52(43(76)39(32)72)90-35-12-13-60(5)33(61(35,6)24-67)11-14-63(8)34(60)10-9-27-28-19-59(3,4)15-17-64(28,58(81)82)18-16-62(27,63)7/h9,25-26,28-57,65-80H,10-24H2,1-8H3,(H,81,82)/t25-,26-,28+,29-,30+,31-,32-,33-,34-,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46-,47+,48+,49-,50+,51-,52+,53-,54-,55+,56-,57+,60+,61+,62-,63-,64+/m1/s1
InChIKey	MQOUJKRGOGFFGM-SZUYYZEVSA-N Google Search
Mol Weight	1353.5 g/mol
Molecular Formula	C64H104O30
Exact Mass	1352.661242 g/mol

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SpectraBase Spectrum ID	2wc0sXpmLsw
Name	#1;ISACOSIDE;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL-(1->4)
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C64H104O30
InChI	InChI=1S/C64H104O30/c1-25-36(69)40(73)44(77)53(85-25)91-48-29(68)22-83-57(51(48)94-55-46(79)42(75)49(31(21-66)88-55)92-56-47(80)50(37(70)26(2)86-56)93-54-45(78)41(74)38(71)30(20-65)87-54)89-32-23-84-52(43(76)39(32)72)90-35-12-13-60(5)33(61(35,6)24-67)11-14-63(8)34(60)10-9-27-28-19-59(3,4)15-17-64(28,58(81)82)18-16-62(27,63)7/h9,25-26,28-57,65-80H,10-24H2,1-8H3,(H,81,82)/t25-,26-,28+,29-,30+,31-,32-,33-,34-,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46-,47+,48+,49-,50+,51-,52+,53-,54-,55+,56-,57+,60+,61+,62-,63-,64+/m1/s1
InChIKey	MQOUJKRGOGFFGM-SZUYYZEVSA-N
Literature Reference Author	P.KAYCE,S.KIRMIZIGUEL
Literature Reference Citation	REC.NAT.PROD.,4,141(2010)
Molecular Weight	1353.512 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT15389