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11-ALPHA-ANGELOYLOXY-1-BETA,2-BETA-EPOXY-3-BETA-(3-METHYLBUTANOYLOXY)-5-BETA-H,6-ALPHA-H,7-ALPHA-H,10-ALPHA-ME-EUDESM-4-(15)-EN-6,12-OLIDE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

11-ALPHA-ANGELOYLOXY-1-BETA,2-BETA-EPOXY-3-BETA-(3-METHYLBUTANOYLOXY)-5-BETA-H,6-ALPHA-H,7-ALPHA-H,10-ALPHA-ME-EUDESM-4-(15)-EN-6,12-OLIDE
SpectraBase Compound ID BYEYFkY9sj
InChI InChI=1S/C25H34O7/c1-8-13(4)22(27)32-25(7)15-9-10-24(6)17(19(15)31-23(25)28)14(5)18(20-21(24)30-20)29-16(26)11-12(2)3/h8,12,15,17-21H,5,9-11H2,1-4,6-7H3/b13-8-/t15-,17+,18-,19-,20-,21-,24+,25+/m1/s1
InChIKey BWLYFEZVBIPJBT-IYDXDOCESA-N
Mol Weight 446.5 g/mol
Molecular Formula C25H34O7
Exact Mass 446.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNKUUckjbhZ
Name (1R,2S,5S,6R,9S,10S,12S,13R)-5,9-dimethyl-13-[(3-methylbutanoyl)oxy]-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0(2,6).0(10,12)]tetradecan-5-yl (2Z)-2-methylbut-2-enoate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O7
InChI InChI=1S/C25H34O7/c1-8-13(4)22(27)32-25(7)15-9-10-24(6)17(19(15)31-23(25)28)14(5)18(20-21(24)30-20)29-16(26)11-12(2)3/h8,12,15,17-21H,5,9-11H2,1-4,6-7H3/b13-8-/t15-,17+,18-,19-,20-,21-,24+,25+/m1/s1
InChIKey BWLYFEZVBIPJBT-IYDXDOCESA-N
Instrument Name JOEL AX505 W
Ionization Type EI
Literature Reference DOI 10.1021/np0603065
Molecular Weight 446.540 g/mol
Optical Rotation [a]D20 = -2.9 (c = 0.20, CHCl3)
Reported Formula C25H34O7
SMILES [C@]12([C@]([C@@]3([C@@]([C@]4([C@@](CC3)([C@@](OC(=O)\C(C)=C/C)(C)C(=O)O4)[H])[H])([H])C([C@]2(OC(=O)CC(C)C)[H])=C)C)(O1)[H])[H]
SPLASH splash10-001l-9050000000-803fd88621d708517ee8
Source of Spectrum G4-69-1570-9
Wiley ID 1873992