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(3S,3aR,4S,6R,7aS)-6-[(Methanesulfonyl)oxy]-4-[(4-methoxybenzyl)oxy]-3-(4-methyl-3-pentenyl)-3a,4,5,6,7,7a-hexahydrobenzo[b]furan-2(3H)-one

View entire compound with spectra: 1 MS (GC)

(3S,3aR,4S,6R,7aS)-6-[(Methanesulfonyl)oxy]-4-[(4-methoxybenzyl)oxy]-3-(4-methyl-3-pentenyl)-3a,4,5,6,7,7a-hexahydrobenzo[b]furan-2(3H)-one
SpectraBase Compound ID 9CvO5ZZxP81
InChI InChI=1S/C23H32O7S/c1-15(2)6-5-7-19-22-20(28-14-16-8-10-17(27-3)11-9-16)12-18(30-31(4,25)26)13-21(22)29-23(19)24/h6,8-11,18-22H,5,7,12-14H2,1-4H3/t18-,19+,20+,21+,22-/m1/s1
InChIKey WYSACWUIDMLAEE-LLVBAIKDSA-N
Mol Weight 452.6 g/mol
Molecular Formula C23H32O7S
Exact Mass 452.186875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LWLfxjPCsF
Name (3S,3aR,4S,6R,7aS)-6-[(Methanesulfonyl)oxy]-4-[(4-methoxybenzyl)oxy]-3-(4-methyl-3-pentenyl)-3a,4,5,6,7,7a-hexahydrobenzo[b]furan-2(3H)-one
Alternate Name(s) (3S,3aR,4S,6R,7aS)-4-[(4-methoxybenzyl)oxy]-3-(4-methyl-3-pentenyl)-2-oxooctahydro-1-benzofuran-6-yl methanesulfonate Methanesulfonic acid[(3S,3aR,4S,6R,7aS)-2-keto-3-(4-methylpent-3-enyl)-4-p-anisyloxy-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-6-yl]ester Methanesulfonic acid[(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-6-yl]ester [(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-6-yl]methanesulfonate [(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-6-yl]methanesulfonate [(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-6-yl]methanesulfonate Methanesulfonic acid [(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-6-yl] ester [(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-6-yl] methanesulfonate [(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-6-yl] methanesulfonate [(3S,3aR,4S,6R,7aS)-4-[(4-methoxyphenyl)methoxy]-3-(4-methylpent-3-enyl)-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-6-yl] methanesulfonate
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Formula C23H32O7S
InChI InChI=1S/C23H32O7S/c1-15(2)6-5-7-19-22-20(28-14-16-8-10-17(27-3)11-9-16)12-18(30-31(4,25)26)13-21(22)29-23(19)24/h6,8-11,18-22H,5,7,12-14H2,1-4H3/t18-,19+,20+,21+,22-/m1/s1
InChIKey WYSACWUIDMLAEE-LLVBAIKDSA-N
Molecular Weight 452.562 g/mol
SMILES [C@@]1(OS(=O)(=O)C)(C[C@@]2(OC(=O)[C@]([C@@]2([C@](C1)(OCc1ccc(cc1)OC)[H])[H])(CCC=C(C)C)[H])[H])[H]
SPLASH splash10-0f79-0094600000-fd9dae1517acdc5197a0
Source of Spectrum F-55-3867-31
Wiley ID 837312