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2-[(1R,3S,3aS,5aR,6R,8aS,8bS)-3-(2-methoxy-2-oxoethyl)-3,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3a,4,5,6,7,8,8a,8b-octahydro-1H-cyclopenta[g]isobenzofuran-1-yl]acetic acid methyl ester

View entire compound with spectra: 1 MS (GC)

2-[(1R,3S,3aS,5aR,6R,8aS,8bS)-3-(2-methoxy-2-oxoethyl)-3,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3a,4,5,6,7,8,8a,8b-octahydro-1H-cyclopenta[g]isobenzofuran-1-yl]acetic acid methyl ester
SpectraBase Compound ID 6jexMcpNXbT
InChI InChI=1S/C27H46O5/c1-17(2)9-8-10-18(3)19-11-12-20-25-21(13-14-26(19,20)4)27(5,16-24(29)31-7)32-22(25)15-23(28)30-6/h17-22,25H,8-16H2,1-7H3/t18-,19-,20+,21+,22-,25+,26-,27+/m1/s1
InChIKey ULJWBKMXYXFQOL-MDEVJSGNSA-N
Mol Weight 450.7 g/mol
Molecular Formula C27H46O5
Exact Mass 450.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62ZoBusAqXH
Name 2-[(1R,3S,3aS,5aR,6R,8aS,8bS)-3-(2-methoxy-2-oxoethyl)-3,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3a,4,5,6,7,8,8a,8b-octahydro-1H-cyclopenta[g]isobenzofuran-1-yl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O5
InChI InChI=1S/C27H46O5/c1-17(2)9-8-10-18(3)19-11-12-20-25-21(13-14-26(19,20)4)27(5,16-24(29)31-7)32-22(25)15-23(28)30-6/h17-22,25H,8-16H2,1-7H3/t18-,19-,20+,21+,22-,25+,26-,27+/m1/s1
InChIKey ULJWBKMXYXFQOL-MDEVJSGNSA-N
Molecular Weight 450.660 g/mol
SMILES [C@@]12([C@]([C@@]3([C@](O[C@]([C@]3(CC2)[H])(CC(=O)OC)C)(CC(=O)OC)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-004i-0009200000-f86897554b3421318400
Source of Spectrum J-62-2979-6
Synonyms 2-[(1R,3S,3aS,5aR,6R,8aS,8bS)-6-[(1R)-1,5-dimethylhexyl]-3-(2-keto-2-methoxy-ethyl)-3,5a-dimethyl-3a,4,5,6,7,8,8a,8b-octahydro-1H-cyclopent[g]isobenzofuran-1-yl]acetic acid methyl ester Methyl 2-[(1R,3S,3aS,5aR,6R,8aS,8bS)-3-(2-methoxy-2-oxidanylidene-ethyl)-3,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3a,4,5,6,7,8,8a,8b-octahydro-1H-cyclopenta[g][2]benzofuran-1-yl]ethanoate Methyl 2-[(1R,3S,3aS,5aR,6R,8aS,8bS)-3-(2-methoxy-2-oxoethyl)-3,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3a,4,5,6,7,8,8a,8b-octahydro-1H-cyclopenta[g][2]benzofuran-1-yl]acetate Methyl 2-[(1R,3S,3aS,5aR,6R,8aS,8bS)-6-[(1R)-1,5-dimethylhexyl]-3-(2-methoxy-2-oxo-ethyl)-3,5a-dimethyl-3a,4,5,6,7,8,8a,8b-octahydro-1H-cyclopenta[g]isobenzofuran-1-yl]acetate
Wiley ID 1387812