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Androst-5-en-3.beta.-ol, 4,4-dimethyl-, acetate
SpectraBase Compound ID 5sqejyMF1rN
InChI InChI=1S/C23H36O2/c1-15(24)25-20-11-14-23(5)18-10-13-22(4)12-6-7-17(22)16(18)8-9-19(23)21(20,2)3/h9,16-18,20H,6-8,10-14H2,1-5H3
InChIKey SARPIEBVSLRNPU-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gJPqDCFvlV
Name Androst-5-en-3.beta.-ol, 4,4-dimethyl-, acetate
Comments Computed using HOSE algorithm
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Exact Mass 344.271530397 u
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-15(24)25-20-11-14-23(5)18-10-13-22(4)12-6-7-17(22)16(18)8-9-19(23)21(20,2)3/h9,16-18,20H,6-8,10-14H2,1-5H3
InChIKey SARPIEBVSLRNPU-UHFFFAOYSA-N
Molecular Weight 344.539 g/mol
SMILES C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)CCC4)[H])(CC=C2C(C)(C)[C@](CC1)(OC(C)=O)[H])[H])[H]