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3,17.beta.-bis(Ethoxycarbonyl)-estra-1,3,5(10),9(11)-tetraen-6-one
SpectraBase Compound ID EvpU0rtLqiM
InChI InChI=1S/C24H28O5/c1-4-28-22(26)14-6-7-15-16-10-11-24(3)19(8-9-20(24)23(27)29-5-2)17(16)13-21(25)18(15)12-14/h6-7,10,12,17,19-20H,4-5,8-9,11,13H2,1-3H3/t17-,19+,20-,24+/m1/s1
InChIKey XTQIRJSWTJHZLW-CWMLTSOLSA-N
Mol Weight 396.48 g/mol
Molecular Formula C24H28O5
Exact Mass 396.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dt5VMepfEk
Name 3,17.beta.-bis(Ethoxycarbonyl)-estra-1,3,5(10),9(11)-tetraen-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O5
InChI InChI=1S/C24H28O5/c1-4-28-22(26)14-6-7-15-16-10-11-24(3)19(8-9-20(24)23(27)29-5-2)17(16)13-21(25)18(15)12-14/h6-7,10,12,17,19-20H,4-5,8-9,11,13H2,1-3H3/t17-,19+,20-,24+/m1/s1
InChIKey XTQIRJSWTJHZLW-CWMLTSOLSA-N
Molecular Weight 396.483 g/mol
SMILES C1=2[C@]([C@@]3(CC[C@@]([C@]3(CC2)C)(C(=O)OCC)[H])[H])(CC(c2c1ccc(C(=O)OCC)c2)=O)[H]
SPLASH splash10-014l-0095000000-0fd867f56bc053f5401d
Source of Spectrum Y5-63-23-3
Synonyms Diethyl (17beta)-6-oxoestra-1,3,5(10),9(11)-tetraene-3,17-dicarboxylate
Wiley ID 879363