ARDISIACRISPIN-A;#4;CYCLAMIRITIN-A-3-BETA-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSIDE]

SpectraBase Compound ID	Cos33OSU4Za
InChI	InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,47-,48-,49+,50-,51+,52-/m0/s1
InChIKey	JXTOWLUQSHIIDP-QJUZBDOVSA-N Google Search
Mol Weight	1061.2 g/mol
Molecular Formula	C52H84O22
Exact Mass	1060.545424 g/mol

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SpectraBase Spectrum ID	1i4hcU0osve
Name	ARDISIACRISPIN-A;#4;CYCLAMIRITIN-A-3-BETA-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSIDE]
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H84O22
InChI	InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,47-,48-,49+,50-,51+,52-/m0/s1
InChIKey	JXTOWLUQSHIIDP-QJUZBDOVSA-N
Literature Reference Author	Z.JIA,K.KOIKE,T.OHMOTO,M.NI
Literature Reference Citation	PHYTOCHEM.,37,1389(1994)
Literature Reference DOI	10.1016/S0031-9422(00)90418-7
Molecular Weight	1061.226 g/mol
Solvent	C5D5N
Source File Reference	UWMS23578