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2-(17.beta.-(Benzoyloxy)androst-2-en-3-yl)benzo[b]furan
SpectraBase Compound ID 3d3pHIqBY3r
InChI InChI=1S/C34H38O3/c1-33-18-16-24(30-21-23-10-6-7-11-29(23)36-30)20-25(33)12-13-26-27-14-15-31(34(27,2)19-17-28(26)33)37-32(35)22-8-4-3-5-9-22/h3-11,16,21,25-28,31H,12-15,17-20H2,1-2H3/t25?,26?,27?,28?,31-,33-,34-/m0/s1
InChIKey AFZHDPZKCVVJFV-ACXUOLRKSA-N
Mol Weight 494.7 g/mol
Molecular Formula C34H38O3
Exact Mass 494.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfilZ3GE5HF
Name 2-(17.beta.-(Benzoyloxy)androst-2-en-3-yl)benzo[b]furan
Alternate Name(s) (17beta)-3-(1-benzofuran-2-yl)androst-2-en-17-yl benzoate 2-(17.betya.-(benzoyloxy)androst-2-en-3-yl)benzo[b]furan
Comments Less than 3 mono-isotopic peaks
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Formula C34H38O3
InChI InChI=1S/C34H38O3/c1-33-18-16-24(30-21-23-10-6-7-11-29(23)36-30)20-25(33)12-13-26-27-14-15-31(34(27,2)19-17-28(26)33)37-32(35)22-8-4-3-5-9-22/h3-11,16,21,25-28,31H,12-15,17-20H2,1-2H3/t25?,26?,27?,28?,31-,33-,34-/m0/s1
InChIKey AFZHDPZKCVVJFV-ACXUOLRKSA-N
Molecular Weight 494.675 g/mol
SMILES [C@]12(C3C(C4CC[C@@]([C@]4(CC3)C)(OC(=O)c3ccccc3)[H])CCC1CC(c1oc3ccccc3c1)=CC2)C
SPLASH splash10-0a4i-0900000000-60b0572b2f0abfd94204
Source of Spectrum J-61-9286-7
Wiley ID 1398020