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1-Phenanthrenecarboxylic acid, 7-bromo-6-[(diethoxyphosphinyl)oxy]-1,2,3,4,4a,9,10,10a-octahydro-1,4 a-dimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-

View entire compound with spectra: 1 MS (GC)

1-Phenanthrenecarboxylic acid, 7-bromo-6-[(diethoxyphosphinyl)oxy]-1,2,3,4,4a,9,10,10a-octahydro-1,4 a-dimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID 2SMTNKKUKJa
InChI InChI=1S/C22H32BrO6P/c1-6-27-30(25,28-7-2)29-18-14-16-15(13-17(18)23)9-10-19-21(16,3)11-8-12-22(19,4)20(24)26-5/h13-14,19H,6-12H2,1-5H3/t19?,21-,22-/m1/s1
InChIKey XRGZFIQJQBMLJN-CEAUUGKZSA-N
Mol Weight 503.4 g/mol
Molecular Formula C22H32BrO6P
Exact Mass 502.111989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ep8Fyf2C9f
Name 1-Phenanthrenecarboxylic acid, 7-bromo-6-[(diethoxyphosphinyl)oxy]-1,2,3,4,4a,9,10,10a-octahydro-1,4 a-dimethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
Alternate Name(s) Methyl (4beta)-13-bromo-12-[(diethoxyphosphoryl)oxy]podocarpa-8,11,13-trien-15-oate Methyl ester of 13-bromo-12-(diethoxyphosphoryloxy)podocarpa-8,11,13-trien-19-oic acid
CAS Registry Number 83109-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32BrO6P
InChI InChI=1S/C22H32BrO6P/c1-6-27-30(25,28-7-2)29-18-14-16-15(13-17(18)23)9-10-19-21(16,3)11-8-12-22(19,4)20(24)26-5/h13-14,19H,6-12H2,1-5H3/t19?,21-,22-/m1/s1
InChIKey XRGZFIQJQBMLJN-CEAUUGKZSA-N
Molecular Weight 503.370 g/mol
SMILES [C@]12(c3cc(OP(=O)(OCC)OCC)c(cc3CCC1[C@@](C(=O)OC)(C)CCC2)Br)C
SPLASH splash10-002b-0104910000-28c57568428977a08333
Source of Spectrum B-35-835-0
Wiley ID 1399144