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(S)-2-Methoxy-5-cyano-8-(phenylthio)-3,7,7,10a-tetramethyl-(octahydro)-phenanthrene
SpectraBase Compound ID 6YuOecIPYTr
InChI InChI=1S/C26H31NOS/c1-17-13-20-18(16-27)14-23-25(2,3)24(29-19-9-7-6-8-10-19)11-12-26(23,4)21(20)15-22(17)28-5/h6-10,13,15,18,23-24H,11-12,14H2,1-5H3/t18?,23?,24?,26-/m1/s1
InChIKey GZVMGVACQLUBAD-SXONVETHSA-N
Mol Weight 405.6 g/mol
Molecular Formula C26H31NOS
Exact Mass 405.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vVR1SKHKXo
Name (S)-2-Methoxy-5-cyano-8-(phenylthio)-3,7,7,10a-tetramethyl-(octahydro)-phenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NOS
InChI InChI=1S/C26H31NOS/c1-17-13-20-18(16-27)14-23-25(2,3)24(29-19-9-7-6-8-10-19)11-12-26(23,4)21(20)15-22(17)28-5/h6-10,13,15,18,23-24H,11-12,14H2,1-5H3/t18?,23?,24?,26-/m1/s1
InChIKey GZVMGVACQLUBAD-SXONVETHSA-N
Molecular Weight 405.600 g/mol
SMILES [C@]12(c3c(cc(c(c3)OC)C)C(CC1C(C)(C)C(CC2)Sc1ccccc1)C#N)C
SPLASH splash10-0r0r-0390300000-75c22c76734be4d8e3a2
Source of Spectrum X2-56-1933-8
Synonyms 12-Methoxy-13-methyl-3-(phenylsulfanyl)podocarpa-8,11,13-triene-7-carbonitrile 2-Methoxy-5-cyano-8-(phenylthio)-3,7,7,10a-tetramethyl-(octahydro)-phenanthrene
Wiley ID 1605204