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13-Isopropyl-4.alpha.-(2'-pyridylthio)-12-methoxy-18-norpodocarpa-8,11,13-triene
SpectraBase Compound ID 46FwzFbjlIw
InChI InChI=1S/C25H33NOS/c1-17(2)19-15-18-10-11-22-24(3,20(18)16-21(19)27-5)12-8-13-25(22,4)28-23-9-6-7-14-26-23/h6-7,9,14-17,22H,8,10-13H2,1-5H3/t22?,24-,25-/m1/s1
InChIKey BJYPDYRHKZAUNZ-QJBRXVLMSA-N
Mol Weight 395.6 g/mol
Molecular Formula C25H33NOS
Exact Mass 395.228286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Luu0nHkkwWb
Name 13-Isopropyl-4.alpha.-(2'-pyridylthio)-12-methoxy-18-norpodocarpa-8,11,13-triene
Alternate Name(s) (4bS,8R)-2-isopropyl-4b,8-dimethyl-8-(2-pyridinylsulfanyl)-4b,5,6,7,8,8a,9,10-octahydro-3-phenanthrenyl methyl ether 2-{[(1R,4aS)-7-isopropyl-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl]sulfanyl}pyridine
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Formula C25H33NOS
InChI InChI=1S/C25H33NOS/c1-17(2)19-15-18-10-11-22-24(3,20(18)16-21(19)27-5)12-8-13-25(22,4)28-23-9-6-7-14-26-23/h6-7,9,14-17,22H,8,10-13H2,1-5H3/t22?,24-,25-/m1/s1
InChIKey BJYPDYRHKZAUNZ-QJBRXVLMSA-N
Molecular Weight 395.605 g/mol
SMILES [C@]12(c3c(cc(c(c3)OC)C(C)C)CCC1[C@@](Sc1ncccc1)(C)CCC2)C
SPLASH splash10-0159-0190000000-918fa8cc2321f59e3908
Source of Spectrum B-51-657-0
Wiley ID 745780