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Acetic acid, 7-acetoxymethyl-8-[1,3]dithian-2-ylidenemethyl-4a,7-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl ester
SpectraBase Compound ID JgxOwKdiU4r
InChI InChI=1S/C26H38O4S2/c1-17(27)29-16-25(3)10-9-22-21(23(25)15-24-31-12-5-13-32-24)7-6-19-14-20(30-18(2)28)8-11-26(19,22)4/h6,15,20-23H,5,7-14,16H2,1-4H3
InChIKey QYTAZZIQQFBKCC-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C26H38O4S2
Exact Mass 478.221152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vL8K1C2xeN
Name Acetic acid, 7-acetoxymethyl-8-[1,3]dithian-2-ylidenemethyl-4a,7-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl ester
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Formula C26H38O4S2
InChI InChI=1S/C26H38O4S2/c1-17(27)29-16-25(3)10-9-22-21(23(25)15-24-31-12-5-13-32-24)7-6-19-14-20(30-18(2)28)8-11-26(19,22)4/h6,15,20-23H,5,7-14,16H2,1-4H3
InChIKey QYTAZZIQQFBKCC-UHFFFAOYSA-N
Molecular Weight 478.706 g/mol
SMILES C12(C(=CCC3C2CCC(COC(=O)C)(C)C3C=C2SCCCS2)CC(OC(=O)C)CC1)C
SPLASH splash10-0297-6922200000-e68e318d2074f93ff6ba
Synonyms [7-(Acetyloxy)-1-(1,3-dithian-2-ylidenemethyl)-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-2-phenanthrenyl]methyl acetate [7-acetoxy-1-(1,3-dithian-2-ylidenemethyl)-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-2-yl]methyl acetate [7-acetyloxy-1-(1,3-dithian-2-ylidenemethyl)-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-2-yl]methyl acetate Acetic acid [7-acetyloxy-1-(1,3-dithian-2-ylidenemethyl)-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-2-yl]methyl ester [7-acetyloxy-1-(1,3-dithian-2-ylidenemethyl)-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-2-yl]methyl ethanoate
Wiley ID 1488176