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1(3H)-Isobenzofuranone, 3-(acetyloxy)-4-ethylidene-3a,4,7,7a-tetrahydro-5-(1,3,3-trimethylcyclohexyl)-, [3S-[3.alpha.,3a.alpha.,4Z,5(R*),7a.alpha.]]-

View entire compound with spectra: 1 MS (GC)

1(3H)-Isobenzofuranone, 3-(acetyloxy)-4-ethylidene-3a,4,7,7a-tetrahydro-5-(1,3,3-trimethylcyclohexyl)-, [3S-[3.alpha.,3a.alpha.,4Z,5(R*),7a.alpha.]]-
SpectraBase Compound ID FBz5F35GlXy
InChI InChI=1S/C21H30O4/c1-6-14-16(21(5)11-7-10-20(3,4)12-21)9-8-15-17(14)19(24-13(2)22)25-18(15)23/h6,9,15,17,19H,7-8,10-12H2,1-5H3/b14-6+/t15-,17+,19+,21+/m1/s1
InChIKey YXPFTOMEKAXZPB-XLYUARLJSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FA7s6Z2XY5c
Name 1(3H)-Isobenzofuranone, 3-(acetyloxy)-4-ethylidene-3a,4,7,7a-tetrahydro-5-(1,3,3-trimethylcyclohexyl)-, [3S-[3.alpha.,3a.alpha.,4Z,5(R*),7a.alpha.]]-
CAS Registry Number 117823-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-6-14-16(21(5)11-7-10-20(3,4)12-21)9-8-15-17(14)19(24-13(2)22)25-18(15)23/h6,9,15,17,19H,7-8,10-12H2,1-5H3/b14-6+/t15-,17+,19+,21+/m1/s1
InChIKey YXPFTOMEKAXZPB-XLYUARLJSA-N
Molecular Weight 346.467 g/mol
SMILES C=1(\C([C@@]2([C@](OC([C@@]2(CC1)[H])=O)(OC(=O)C)[H])[H])=C/C)[C@@]1(CC(C)(C)CCC1)C
SPLASH splash10-052f-9510000000-f83048f613817b1b5237
Source of Spectrum B-43-1726-5
Synonyms (1S,3aR,7Z,7aR)-7-ethylidene-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-yl acetate (7Z,1R(*),1'R(*),3aS(*),7aS(*))-7-ethylidene-3-oxo-6-(1',3',3'-trimethylcyclohexyl)-1,3,3a,4,7,7a-hexahydroisobenzofuran-1-yl acetate (aplytandiene-2) Acetic acid[(1S,3aR,7Z,7aR)-7-ethylidene-3-keto-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydroisobenzofuran-1-yl]ester Acetic acid[(1S,3aR,7Z,7aR)-7-ethylidene-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydroisobenzofuran-1-yl]ester Aplytandiene 2 [(1S,3aR,7Z,7aR)-7-ethylidene-3-oxidanylidene-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydro-2-benzofuran-1-yl]ethanoate [(1S,3aR,7Z,7aR)-7-ethylidene-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydro-2-benzofuran-1-yl]acetate [(1S,3aR,7Z,7aR)-7-ethylidene-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydroisobenzofuran-1-yl]acetate Acetic acid [(1S,3aR,7Z,7aR)-7-ethylidene-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydroisobenzofuran-1-yl] ester [(1S,3aR,7Z,7aR)-7-ethylidene-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydro-2-benzofuran-1-yl] acetate [(1S,3aR,7Z,7aR)-7-ethylidene-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydroisobenzofuran-1-yl] acetate [(1S,3aR,7Z,7aR)-7-ethylidene-3-oxidanylidene-6-[(1S)-1,3,3-trimethylcyclohexyl]-1,3a,4,7a-tetrahydro-2-benzofuran-1-yl] ethanoate
Wiley ID 1339508