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1'-(Ethoxycarbonyl)androstano[16.alpha.,17-c]cyclohex-4'-ene
SpectraBase Compound ID 4ZeF2I4pHck
InChI InChI=1S/C25H38O2/c1-24-12-5-4-6-18(24)9-10-19-20(24)11-13-25(2)21-15-17(23(26)27-3)8-7-16(21)14-22(19)25/h15-20,22H,4-14H2,1-3H3/t16?,17?,18?,19?,20-,22-,24-,25+/m0/s1
InChIKey IEUITNTVIDSEMS-ZZTDJTFRSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF4wgHnI66Q
Name 1'-(Ethoxycarbonyl)androstano[16.alpha.,17-c]cyclohex-4'-ene
Alternate Name(s) 1'-(methoxycarbonyl)androstano[16.alpha.,17-c]cyclohex-4'-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-24-12-5-4-6-18(24)9-10-19-20(24)11-13-25(2)21-15-17(23(26)27-3)8-7-16(21)14-22(19)25/h15-20,22H,4-14H2,1-3H3/t16?,17?,18?,19?,20-,22-,24-,25+/m0/s1
InChIKey IEUITNTVIDSEMS-ZZTDJTFRSA-N
Molecular Weight 370.577 g/mol
SMILES [C@]12(C3=CC(C(=O)OC)CCC3C[C@]1(C1CCC3[C@]([C@]1(CC2)[H])(C)CCCC3)[H])C
SPLASH splash10-0a4i-9206000000-1aa425ab3084ab068dd6
Source of Spectrum J-62-1329-5
Wiley ID 1354688