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5H-Inden-5-one, 1-(acetyloxy)-7a-ethyl-1,2,3,6,7,7a-hexahydro-4-[(phenylsulfonyl)methyl]-, (1S-cis)-
SpectraBase Compound ID 9ksBlyHcCvB
InChI InChI=1S/C20H24O5S/c1-3-20-12-11-18(22)16(17(20)9-10-19(20)25-14(2)21)13-26(23,24)15-7-5-4-6-8-15/h4-8,19H,3,9-13H2,1-2H3/t19-,20-/m0/s1
InChIKey NLIIXWUHTBOFNK-PMACEKPBSA-N
Mol Weight 376.47 g/mol
Molecular Formula C20H24O5S
Exact Mass 376.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPeAagixg4l
Name 5H-Inden-5-one, 1-(acetyloxy)-7a-ethyl-1,2,3,6,7,7a-hexahydro-4-[(phenylsulfonyl)methyl]-, (1S-cis)-
CAS Registry Number 101750-95-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5S
InChI InChI=1S/C20H24O5S/c1-3-20-12-11-18(22)16(17(20)9-10-19(20)25-14(2)21)13-26(23,24)15-7-5-4-6-8-15/h4-8,19H,3,9-13H2,1-2H3/t19-,20-/m0/s1
InChIKey NLIIXWUHTBOFNK-PMACEKPBSA-N
Molecular Weight 376.467 g/mol
SMILES C1(=C2[C@]([C@@](OC(=O)C)(CC2)[H])(CC)CCC1=O)CS(=O)(=O)c1ccccc1
SPLASH splash10-002f-8925000000-e1e5ad1bc3de53d512fe
Source of Spectrum F-41-4480-18
Synonyms (1S,7aS)-(+)-1-acetoxy-5,6,7,7a-tetrahydro-7a-etyl-4-phenylsulfonylmethyl-indan-5-one (1S,7aS)-7a-ethyl-5-oxo-4-[(phenylsulfonyl)methyl]-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl acetate
Wiley ID 1357660