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3,17-Dimethoxy-21a-homo-19-nor-17a-pregna-1,3,5(10)-trien-20-yne
SpectraBase Compound ID 9nr8P3bJujH
InChI InChI=1S/C23H30O2/c1-5-12-23(25-4)14-11-21-20-8-6-16-15-17(24-3)7-9-18(16)19(20)10-13-22(21,23)2/h7,9,15,19-21H,6,8,10-11,13-14H2,1-4H3/t19-,20-,21+,22+,23+/m1/s1
InChIKey JRLJOJHGVMODEF-VROINQGHSA-N
Mol Weight 338.49 g/mol
Molecular Formula C23H30O2
Exact Mass 338.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IN5cRovkcmd
Name 3,17-Dimethoxy-21a-homo-19-nor-17a-pregna-1,3,5(10)-trien-20-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O2
InChI InChI=1S/C23H30O2/c1-5-12-23(25-4)14-11-21-20-8-6-16-15-17(24-3)7-9-18(16)19(20)10-13-22(21,23)2/h7,9,15,19-21H,6,8,10-11,13-14H2,1-4H3/t19-,20-,21+,22+,23+/m1/s1
InChIKey JRLJOJHGVMODEF-VROINQGHSA-N
Molecular Weight 338.491 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC[C@]1(C#CC)OC)[H])C
SPLASH splash10-00di-0429000000-405b3119c48720082e68
Source of Spectrum U-1993-1101-1
Synonyms (17beta)-3,17-dimethoxy-17-(1-propynyl)estra-1,3,5(10)-triene
Wiley ID 765328