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Methyl (4aS*,10bR*)-2-{[(Methylsulfonyl)oxy]methyl}-10b-phenyl-3,4,6,10b-tetrahydro-2H-benzo[h]chromene-4a(5H)-carboxylate Mesylate Dev.
SpectraBase Compound ID 1p6ssYowSEA
InChI InChI=1S/C23H26O6S/c1-27-21(24)22-14-12-17-8-6-7-11-20(17)23(22,18-9-4-3-5-10-18)29-19(13-15-22)16-28-30(2,25)26/h3-11,19H,12-16H2,1-2H3/t19?,22-,23-/m1/s1
InChIKey MOQHIQSXVGYSDR-QENMJEOYSA-N
Mol Weight 430.52 g/mol
Molecular Formula C23H26O6S
Exact Mass 430.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4T5mc1M260F
Name Methyl (4aS*,10bR*)-2-{[(Methylsulfonyl)oxy]methyl}-10b-phenyl-3,4,6,10b-tetrahydro-2H-benzo[h]chromene-4a(5H)-carboxylate Mesylate Dev.
Alternate Name(s) Methyl (4aS,10bR)-2-{[(methylsulfonyl)oxy]methyl}-10b-phenyl-3,4,6,10b-tetrahydro-2H-benzo[h]chromene-4a(5H)-carboxylate (4aS,10bR)-2-(methylsulfonyloxymethyl)-10b-phenyl-3,4,5,6-tetrahydro-2H-benzo[h][1]benzopyran-4a-carboxylic acid methyl ester Methyl (4aS,10bR)-2-(methylsulfonyloxymethyl)-10b-phenyl-3,4,5,6-tetrahydro-2H-benzo[h]chromene-4a-carboxylate
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Formula C23H26O6S
InChI InChI=1S/C23H26O6S/c1-27-21(24)22-14-12-17-8-6-7-11-20(17)23(22,18-9-4-3-5-10-18)29-19(13-15-22)16-28-30(2,25)26/h3-11,19H,12-16H2,1-2H3/t19?,22-,23-/m1/s1
InChIKey MOQHIQSXVGYSDR-QENMJEOYSA-N
Molecular Weight 430.515 g/mol
SMILES [C@]12([C@](C(=O)OC)(CCc3c2cccc3)CCC(COS(=O)(=O)C)O1)c1ccccc1
SPLASH splash10-0fk9-0009200000-5805a3182d262a89a20f
Source of Spectrum K1-2004-2713-21
Wiley ID 1561129