Methyl 5-(acetyloxy)-10-(hydroxymethyl)-4-(isobutyryloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate

SpectraBase Compound ID	CV5VAeexg4j
InChI	InChI=1S/C22H28O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8-9,11,16-19,23H,3,6-7,10H2,1-2,4-5H3/b14-9+,15-8+
InChIKey	LEXNOTHTGXEEKQ-LPSKSUNQSA-N Google Search
Mol Weight	436.46 g/mol
Molecular Formula	C22H28O9
Exact Mass	436.173332 g/mol

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SpectraBase Spectrum ID	B4DJ7Z7kybw
Name	Methyl 5-(acetyloxy)-10-(hydroxymethyl)-4-(isobutyryloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate
Alternate Name(s)	(6E,10E)-5-acetoxy-4-isobutyryloxy-2-keto-3-methylene-10-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid methyl ester (6E,10E)-5-acetyloxy-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxopropoxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid methyl ester Melcanthin E Methyl (6E,10E)-5-acetoxy-10-(hydroxymethyl)-3-methylene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate Methyl (6E,10E)-5-acetyloxy-10-(hydroxymethyl)-3-methylidene-4-(2-methylpropanoyloxy)-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate Methyl (6E,10E)-5-acetyloxy-10-(hydroxymethyl)-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
CAS Registry Number	79405-86-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H28O9
InChI	InChI=1S/C22H28O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8-9,11,16-19,23H,3,6-7,10H2,1-2,4-5H3/b14-9+,15-8+
InChIKey	LEXNOTHTGXEEKQ-LPSKSUNQSA-N
Molecular Weight	436.457 g/mol
SMILES	OC\C=1CC\C=C\(C(OC)=O)C(C(C2C(C(OC2C/1)=O)=C)OC(=O)C(C)C)OC(C)=O
SPLASH	splash10-00fu-9120000000-15db916eefe5e8f1d33c
Source of Spectrum	W5-1989-12433-1
Wiley ID	1383445