ACUTANGULOSIDE-D-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-DIBENZOYL

SpectraBase Compound ID	5o4kvkk00wr
InChI	InChI=1S/C62H86O22/c1-57(2)25-33-32-19-20-37-59(5)23-22-39(79-56-48(82-55-44(71)42(69)41(68)35(27-63)78-55)46(45(72)47(81-56)53(75)76-8)80-54-43(70)40(67)34(65)28-77-54)58(3,4)36(59)21-24-60(37,6)61(32,7)26-38(66)62(33,29-64)50(84-52(74)31-17-13-10-14-18-31)49(57)83-51(73)30-15-11-9-12-16-30/h9-19,33-50,54-56,63-72H,20-29H2,1-8H3/t33-,34-,35+,36-,37?,38+,39-,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,54+,55-,56-,59-,60+,61+,62-/m0/s1
InChIKey	XORMZKXGUQJUIB-YTRNMKLSSA-N Google Search
Mol Weight	1183.3 g/mol
Molecular Formula	C62H86O22
Exact Mass	1182.561074 g/mol

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SpectraBase Spectrum ID	JNNX15UgVJX
Name	ACUTANGULOSIDE-D-METHYLESTER;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-METHYLGLUCURONOPYRANOSYL-21,22-O-DIBENZOYL
Compound Number	5A
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C62H86O22
InChI	InChI=1S/C62H86O22/c1-57(2)25-33-32-19-20-37-59(5)23-22-39(79-56-48(82-55-44(71)42(69)41(68)35(27-63)78-55)46(45(72)47(81-56)53(75)76-8)80-54-43(70)40(67)34(65)28-77-54)58(3,4)36(59)21-24-60(37,6)61(32,7)26-38(66)62(33,29-64)50(84-52(74)31-17-13-10-14-18-31)49(57)83-51(73)30-15-11-9-12-16-30/h9-19,33-50,54-56,63-72H,20-29H2,1-8H3/t33-,34-,35+,36-,37?,38+,39-,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,54+,55-,56-,59-,60+,61+,62-/m0/s1
InChIKey	XORMZKXGUQJUIB-YTRNMKLSSA-N
Literature Reference Author	C.MILLS,A.R.CARROLL,R.J.QUINN
Literature Reference Citation	J.NAT.PROD.,68,311(2005)
Literature Reference DOI	10.1021/np049741u
Molecular Weight	1183.352 g/mol
Solvent	DMSO-D6
Source File Reference	UWMZ9334