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4.alpha.-(2'-Pyridylthio)-18-norpodocarpa-8,11,13-trien-12-yl acetate
SpectraBase Compound ID Czncdr4ibRk
InChI InChI=1S/C23H27NO2S/c1-16(25)26-18-10-8-17-9-11-20-22(2,19(17)15-18)12-6-13-23(20,3)27-21-7-4-5-14-24-21/h4-5,7-8,10,14-15,20H,6,9,11-13H2,1-3H3/t20-,22-,23-/m1/s1
InChIKey QZQOTKURZSYWOK-YMPZKCBVSA-N
Mol Weight 381.53 g/mol
Molecular Formula C23H27NO2S
Exact Mass 381.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7RYgO5meHO
Name 4.alpha.-(2'-Pyridylthio)-18-norpodocarpa-8,11,13-trien-12-yl acetate
Alternate Name(s) (4bS,8R,8aR)-4b,8-dimethyl-8-(2-pyridinylsulfanyl)-4b,5,6,7,8,8a,9,10-octahydro-3-phenanthrenyl acetate
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Formula C23H27NO2S
InChI InChI=1S/C23H27NO2S/c1-16(25)26-18-10-8-17-9-11-20-22(2,19(17)15-18)12-6-13-23(20,3)27-21-7-4-5-14-24-21/h4-5,7-8,10,14-15,20H,6,9,11-13H2,1-3H3/t20-,22-,23-/m1/s1
InChIKey QZQOTKURZSYWOK-YMPZKCBVSA-N
Molecular Weight 381.534 g/mol
SMILES [C@]12(c3c(ccc(c3)OC(=O)C)CC[C@]1([C@@](Sc1ncccc1)(C)CCC2)[H])C
SPLASH splash10-03di-0900000000-0880e920b0c9e0fd0035
Source of Spectrum B-51-656-18
Wiley ID 745784