8.alpha.-(Angeloyloxy)-4.beta.-hydroxy-5.beta.-(isobutyryloxy)-9-oxo-Germacran-7.beta.,12.alpha.-olide

SpectraBase Compound ID	9DF8NQHFRJY
InChI	InChI=1S/C24H34O8/c1-8-13(4)22(27)30-18-16-15(6)23(28)31-19(16)20(32-21(26)12(2)3)24(7,29)11-9-10-14(5)17(18)25/h8,12,14,16,18-20,29H,6,9-11H2,1-5,7H3/b13-8-/t14-,16-,18-,19+,20-,24+/m1/s1
InChIKey	BJQNXQGBVGOSIN-OVMYZCELSA-N Google Search
Mol Weight	450.5 g/mol
Molecular Formula	C24H34O8
Exact Mass	450.225368 g/mol

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SpectraBase Spectrum ID	Ez5EEIpxflf
Name	8.alpha.-(Angeloyloxy)-4.beta.-hydroxy-5.beta.-(isobutyryloxy)-9-oxo-Germacran-7.beta.,12.alpha.-olide
Alternate Name(s)	(Z)-2-methyl-2-butenoic acid [(3aS,4R,6R,10S,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylene-11-(2-methyl-1-oxopropoxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] ester [(3aS,4R,6R,10S,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate [(3aS,4R,6R,10S,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate [(3aS,4R,6R,10S,11R,11aS)-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-10-oxidanyl-2,5-bis(oxidanylidene)-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H34O8
InChI	InChI=1S/C24H34O8/c1-8-13(4)22(27)30-18-16-15(6)23(28)31-19(16)20(32-21(26)12(2)3)24(7,29)11-9-10-14(5)17(18)25/h8,12,14,16,18-20,29H,6,9-11H2,1-5,7H3/b13-8-/t14-,16-,18-,19+,20-,24+/m1/s1
InChIKey	BJQNXQGBVGOSIN-OVMYZCELSA-N
Molecular Weight	450.528 g/mol
SMILES	O[C@@]1([C@@]([C@@]2([C@@]([C@@](OC(\C(=C/C)C)=O)(C(=O)[C@@](CCC1)(C)[H])[H])(C(C(=O)O2)=C)[H])[H])(OC(=O)C(C)C)[H])C
SPLASH	splash10-1000-1960000000-6b3b2355b4e09cafb904
Source of Spectrum	G4-70-834-1
Wiley ID	1694708