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Ethyl (3a.alpha.,4.beta.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-4-hydroxy-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Propylene Thioacetal)- Derivative

View entire compound with spectra: 1 MS (GC)

Ethyl (3a.alpha.,4.beta.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-4-hydroxy-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Propylene Thioacetal)- Derivative
SpectraBase Compound ID 9Vzbo0QU9vR
InChI InChI=1S/C22H32O4S2/c1-4-26-20(25)10-15-13(2)8-19(24)16-9-18(23)14-11-22(27-6-5-7-28-22)12-17(14)21(15,16)3/h8,14-18,23H,4-7,9-12H2,1-3H3/t14-,15+,16-,17+,18+,21-/m0/s1
InChIKey QYHPRNNNTNLSNC-UVIDDBMMSA-N
Mol Weight 424.6 g/mol
Molecular Formula C22H32O4S2
Exact Mass 424.174202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ae3wbw1myp5
Name Ethyl (3a.alpha.,4.beta.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-4-hydroxy-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Propylene Thioacetal)- Derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4S2
InChI InChI=1S/C22H32O4S2/c1-4-26-20(25)10-15-13(2)8-19(24)16-9-18(23)14-11-22(27-6-5-7-28-22)12-17(14)21(15,16)3/h8,14-18,23H,4-7,9-12H2,1-3H3/t14-,15+,16-,17+,18+,21-/m0/s1
InChIKey QYHPRNNNTNLSNC-UVIDDBMMSA-N
Molecular Weight 424.614 g/mol
SMILES O[C@@]1(C[C@@]2([C@]([C@@](C(=CC2=O)C)(CC(=O)OCC)[H])([C@]2([C@@]1(CC1(C2)SCCCS1)[H])[H])C)[H])[H]
SPLASH splash10-052f-7920100000-44f67fb9f5a4346929fc
Source of Spectrum F5-3-3581-23
Synonyms Ethyl 2-((3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxo-1,3,3a,4,5,5a,6,9,9a,9b-decahydrospiro[cyclopenta[a]naphthalene-2,2'-[1,3]dithian]-9-yl)acetate 2-[(3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxo-9-spiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dithiane]yl]acetic acid ethyl ester Ethyl 2-[(3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxospiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dithiane]-9-yl]acetate Ethyl 2-[(3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxo-spiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dithiane]-9-yl]acetate Ethyl 2-[(3aS,4R,5aR,9R,9aS,9bR)-8,9a-dimethyl-4-oxidanyl-6-oxidanylidene-spiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dithiane]-9-yl]ethanoate
Wiley ID 1732550