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4-Chloro-benzoic acid (1R,4aS,4bR,9R,10aR)-1-(tert-butyl-dimethyl-silanyloxymethyl)-1,4a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-9-yl ester

View entire compound with spectra: 1 MS (GC)

4-Chloro-benzoic acid (1R,4aS,4bR,9R,10aR)-1-(tert-butyl-dimethyl-silanyloxymethyl)-1,4a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-9-yl ester
SpectraBase Compound ID 5ugymOG8JlQ
InChI InChI=1S/C30H43ClO4Si/c1-28(2,3)36(6,7)34-19-29(4)15-8-16-30(5)24-14-13-22(32)17-23(24)25(18-26(29)30)35-27(33)20-9-11-21(31)12-10-20/h9-12,17,24-26H,8,13-16,18-19H2,1-7H3/t24-,25+,26-,29-,30+/m0/s1
InChIKey QLGIXVRCTVEUDG-HMWAHOBHSA-N
Mol Weight 531.2 g/mol
Molecular Formula C30H43ClO4Si
Exact Mass 530.261914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jcG1XlRaR1
Name 4-Chloro-benzoic acid (1R,4aS,4bR,9R,10aR)-1-(tert-butyl-dimethyl-silanyloxymethyl)-1,4a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-9-yl ester
Alternate Name(s) (4beta,7alpha)-15-{[tert-butyl(dimethyl)silyl]oxy}-13-oxopodocarp-8(14)-en-7-yl 4-chlorobenzoate 4-[(t-Butyldimethylsilyloxy)methyl]-7-[(p-chlorobenzoyl)oxy]-4,10-dimethyl-13-oxo-octahydrophenanthrene
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Formula C30H43ClO4Si
InChI InChI=1S/C30H43ClO4Si/c1-28(2,3)36(6,7)34-19-29(4)15-8-16-30(5)24-14-13-22(32)17-23(24)25(18-26(29)30)35-27(33)20-9-11-21(31)12-10-20/h9-12,17,24-26H,8,13-16,18-19H2,1-7H3/t24-,25+,26-,29-,30+/m0/s1
InChIKey QLGIXVRCTVEUDG-HMWAHOBHSA-N
Molecular Weight 531.208 g/mol
SMILES C=12[C@@]([C@]3(CCC[C@]([C@@]3(C[C@]2(OC(c2ccc(cc2)Cl)=O)[H])[H])(CO[Si](C(C)(C)C)(C)C)C)C)(CCC(C1)=O)[H]
SPLASH splash10-01vx-2491100000-27aafff8bb4a483aae14
Source of Spectrum I-78-38-1
Wiley ID 812681