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Estra-1,3,5(10)-trien-17-one, 3-[(dimethylphosphino)oxy]-
SpectraBase Compound ID EgQM6mXi9EM
InChI InChI=1S/C20H27O2P/c1-20-11-10-16-15-7-5-14(22-23(2)3)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,16-18H,4,6,8-11H2,1-3H3/t16-,17-,18+,20+/m1/s1
InChIKey JUDLSOVQINFASL-XSYGEPLQSA-N
Mol Weight 330.41 g/mol
Molecular Formula C20H27O2P
Exact Mass 330.174867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GEQ6iDOoXh
Name Estra-1,3,5(10)-trien-17-one, 3-[(dimethylphosphino)oxy]-
Alternate Name(s) 17-oxoestra-1,3,5(10)-trien-3-yl dimethylphosphinite Dimethyl phosphinous ester of estrone
CAS Registry Number 61127-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27O2P
InChI InChI=1S/C20H27O2P/c1-20-11-10-16-15-7-5-14(22-23(2)3)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,16-18H,4,6,8-11H2,1-3H3/t16-,17-,18+,20+/m1/s1
InChIKey JUDLSOVQINFASL-XSYGEPLQSA-N
Molecular Weight 330.408 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OP(C)C)c4)[H])(CCC1=O)[H])C
SPLASH splash10-0089-2079000000-03eedc272dd87a960835
Source of Spectrum KO-3-67-3
Wiley ID 1328112