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5-Androsten-17-one, 3-acetoxy-16-benzylidene-

View entire compound with spectra: 1 NMR

5-Androsten-17-one, 3-acetoxy-16-benzylidene-
SpectraBase Compound ID LDMHX8OsBd8
InChI InChI=1S/C28H34O3/c1-18(29)31-22-11-13-27(2)21(17-22)9-10-23-24(27)12-14-28(3)25(23)16-20(26(28)30)15-19-7-5-4-6-8-19/h4-9,15,22-25H,10-14,16-17H2,1-3H3/b20-15+/t22?,23-,24+,25+,27+,28+/m1/s1
InChIKey PYLBSMLISGOFKG-SEPUHGFXSA-N
Mol Weight 418.6 g/mol
Molecular Formula C28H34O3
Exact Mass 418.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XONx9qQzlG
Name 5-Androsten-17-one, 3-acetoxy-16-benzylidene-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.250794952 u
Formula C28H34O3
InChI InChI=1S/C28H34O3/c1-18(29)31-22-11-13-27(2)21(17-22)9-10-23-24(27)12-14-28(3)25(23)16-20(26(28)30)15-19-7-5-4-6-8-19/h4-9,15,22-25H,10-14,16-17H2,1-3H3/b20-15+/t22?,23-,24+,25+,27+,28+/m1/s1
InChIKey PYLBSMLISGOFKG-SEPUHGFXSA-N
Molecular Weight 418.577 g/mol
SMILES C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C\C(C2=O)=C/C1=CC=CC=C1)[H])C)[H])[H])C)OC(=O)C