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1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(2-carboxy-1,1-(ethylenedithio)ethyl)-1-phenanthrenecarboxylic acid monomethyl ester

View entire compound with spectra: 1 MS (GC)

1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(2-carboxy-1,1-(ethylenedithio)ethyl)-1-phenanthrenecarboxylic acid monomethyl ester
SpectraBase Compound ID E0kOYotBdV4
InChI InChI=1S/C23H30O4S2/c1-21-9-4-10-22(2,20(26)27-3)18(21)8-5-15-13-16(6-7-17(15)21)23(14-19(24)25)28-11-12-29-23/h6-7,13,18H,4-5,8-12,14H2,1-3H3,(H,24,25)
InChIKey HHFIBXXJQXCPOG-UHFFFAOYSA-N
Mol Weight 434.61 g/mol
Molecular Formula C23H30O4S2
Exact Mass 434.158552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6j1HgqLnWlT
Name 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(2-carboxy-1,1-(ethylenedithio)ethyl)-1-phenanthrenecarboxylic acid monomethyl ester
Alternate Name(s) 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(2-carboxy-1,1-(ethylenedthio)ethyl)-1-phenanthrenecarboxylic acid monomethyl ester [2-(15-methoxy-15-oxopodocarpa-8,11,13-trien-13-yl)-1,3-dithiolan-2-yl]acetic acid
CAS Registry Number 97644-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O4S2
InChI InChI=1S/C23H30O4S2/c1-21-9-4-10-22(2,20(26)27-3)18(21)8-5-15-13-16(6-7-17(15)21)23(14-19(24)25)28-11-12-29-23/h6-7,13,18H,4-5,8-12,14H2,1-3H3,(H,24,25)
InChIKey HHFIBXXJQXCPOG-UHFFFAOYSA-N
Molecular Weight 434.609 g/mol
SMILES OC(CC1(c2ccc3C4(C(C(C(=O)OC)(C)CCC4)CCc3c2)C)SCCS1)=O
SPLASH splash10-004i-0029000000-7c07a809e364bc62b424
Source of Spectrum J-50-3751-18
Wiley ID 1382910