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2-Methoxy-5-oxo-8-(phenylthio)-3,7,7,10a-tetramethyl-(octahydro)-phenanthrene - S-Oxide
SpectraBase Compound ID 5qPPw6Q0r2K
InChI InChI=1S/C25H30O3S/c1-16-13-18-19(14-21(16)28-5)25(4)12-11-23(24(2,3)22(25)15-20(18)26)29(27)17-9-7-6-8-10-17/h6-10,13-14,22-23H,11-12,15H2,1-5H3/t22?,23?,25-,29?/m1/s1
InChIKey UTYLRSHCNWPWJG-KHUUPFGUSA-N
Mol Weight 410.57 g/mol
Molecular Formula C25H30O3S
Exact Mass 410.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4P7uOLiiOXm
Name 2-Methoxy-5-oxo-8-(phenylthio)-3,7,7,10a-tetramethyl-(octahydro)-phenanthrene - S-Oxide
Alternate Name(s) 12-Methoxy-13-methyl-3-(phenylsulfinyl)podocarpa-8,11,13-trien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O3S
InChI InChI=1S/C25H30O3S/c1-16-13-18-19(14-21(16)28-5)25(4)12-11-23(24(2,3)22(25)15-20(18)26)29(27)17-9-7-6-8-10-17/h6-10,13-14,22-23H,11-12,15H2,1-5H3/t22?,23?,25-,29?/m1/s1
InChIKey UTYLRSHCNWPWJG-KHUUPFGUSA-N
Molecular Weight 410.572 g/mol
SMILES [C@]12(c3c(cc(c(c3)OC)C)C(CC1C(C)(C)C(CC2)S(=O)c1ccccc1)=O)C
SPLASH splash10-0uy0-0390000000-ade1860388b95d6f627a
Source of Spectrum X2-56-1934-11
Wiley ID 1605202