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(13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) propyl sulfate
SpectraBase Compound ID FZ2eViZ3w4f
InChI InChI=1S/C21H28O5S/c1-3-12-25-27(23,24)26-15-5-7-16-14(13-15)4-6-18-17(16)10-11-21(2)19(18)8-9-20(21)22/h5,7,13,17-19H,3-4,6,8-12H2,1-2H3
InChIKey HSOSSUWGHQCRNT-UHFFFAOYSA-N
Mol Weight 392.51 g/mol
Molecular Formula C21H28O5S
Exact Mass 392.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32Qt51ktMz6
Name (13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) propyl sulfate
Alternate Name(s) 17-Oxoestra-1,3,5(10)-trien-3-yl propyl sulfate (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) propyl sulfate 3-O-(Propoxysulfonyl)-estrone sulfuric acid (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) propyl ester sulfuric acid (17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) propyl ester
CAS Registry Number 69363-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5S
InChI InChI=1S/C21H28O5S/c1-3-12-25-27(23,24)26-15-5-7-16-14(13-15)4-6-18-17(16)10-11-21(2)19(18)8-9-20(21)22/h5,7,13,17-19H,3-4,6,8-12H2,1-2H3
InChIKey HSOSSUWGHQCRNT-UHFFFAOYSA-N
Molecular Weight 392.510 g/mol
SMILES CCCOS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CCC2=O
SPLASH splash10-00di-0981000000-4c5a63c5bf0cb616630d
Source of Spectrum KO-5-417-5
Wiley ID 1365766