acetic acid [(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-9-acetoxy-2-(3-furyl)-4-keto-10b-methyl-7-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1H-benzo[f]isochromen-10-yl] ester

SpectraBase Compound ID	BNjzhtx3AyB
InChI	InChI=1S/C36H46O17/c1-16(37)45-15-28-31(48-19(4)40)32(49-20(5)41)33(50-21(6)42)35(53-28)52-25-12-26(46-17(2)38)30(47-18(3)39)29-23(25)8-9-24-34(43)51-27(13-36(24,29)7)22-10-11-44-14-22/h10-11,14,23-33,35H,8-9,12-13,15H2,1-7H3/t23-,24+,25-,26+,27+,28-,29+,30+,31-,32+,33-,35-,36-/m1/s1
InChIKey	CNIXWENQBVTGJV-AQCTYSMCSA-N Google Search
Mol Weight	750.7 g/mol
Molecular Formula	C36H46O17
Exact Mass	750.2735 g/mol

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SpectraBase Spectrum ID	JuScMXzdOv5
Name	acetic acid [(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-9-acetoxy-2-(3-furyl)-4-keto-10b-methyl-7-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1H-benzo[f]isochromen-10-yl] ester
Compound Number	2D
Copyright	Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C36H46O17
InChI	InChI=1S/C36H46O17/c1-16(37)45-15-28-31(48-19(4)40)32(49-20(5)41)33(50-21(6)42)35(53-28)52-25-12-26(46-17(2)38)30(47-18(3)39)29-23(25)8-9-24-34(43)51-27(13-36(24,29)7)22-10-11-44-14-22/h10-11,14,23-33,35H,8-9,12-13,15H2,1-7H3/t23-,24+,25-,26+,27+,28-,29+,30+,31-,32+,33-,35-,36-/m1/s1
InChIKey	CNIXWENQBVTGJV-AQCTYSMCSA-N
Literature Reference Author	W.LI,K.WEI,H.FU,K.KOIKE
Literature Reference Citation	J.NAT.PROD.,70,1971(2007)
Literature Reference DOI	10.1021/np070367i
Molecular Weight	750.751 g/mol
Sample ID	31222
Solvent	CDCl3