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4-Acetoxy-3,4,4a,5,6,9,10,11,12,12a-decahydro-11-[1'-methoxycarbonyl)ethylidene]-1,4a,8-trimethyl-10-oxobenzocyclodecen-5-yl propanoate
SpectraBase Compound ID BkK6bzS5abY
InChI InChI=1S/C26H36O7/c1-8-24(29)33-23-11-9-15(2)13-21(28)19(17(4)25(30)31-7)14-20-16(3)10-12-22(26(20,23)6)32-18(5)27/h9-10,20,22-23H,8,11-14H2,1-7H3/b15-9-,19-17+
InChIKey LXCRQBUNOUHJFS-LYXOMWPRSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H36O7
Exact Mass 460.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwtwVktp93z
Name 4-Acetoxy-3,4,4a,5,6,9,10,11,12,12a-decahydro-11-[1'-methoxycarbonyl)ethylidene]-1,4a,8-trimethyl-10-oxobenzocyclodecen-5-yl propanoate
Alternate Name(s) Methyl (2E)-2-(1-(acetyloxy)-4,9,12a-trimethyl-7-oxo-12-(propionyloxy)-1,4a,5,7,8,11,12,12a-octahydrobenzo[a]cyclodecen-6(2H)-ylidene)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O7
InChI InChI=1S/C26H36O7/c1-8-24(29)33-23-11-9-15(2)13-21(28)19(17(4)25(30)31-7)14-20-16(3)10-12-22(26(20,23)6)32-18(5)27/h9-10,20,22-23H,8,11-14H2,1-7H3/b15-9-,19-17+
InChIKey LXCRQBUNOUHJFS-LYXOMWPRSA-N
Molecular Weight 460.567 g/mol
SMILES C12(C(C\C(=C/(C(=O)OC)C)C(=O)C\C(=C/CC2OC(=O)CC)C)C(C)=CCC1OC(=O)C)C
SPLASH splash10-0006-9500000000-27e070f1764951f45d86
Source of Spectrum H-78-1477-13
Wiley ID 1390522