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4-Pregnen-20.alpha.-ol-3-one, acetate(ester)

View entire compound with spectra: 1 NMR

4-Pregnen-20.alpha.-ol-3-one, acetate(ester)
SpectraBase Compound ID JKPAiNhkxlD
InChI InChI=1S/C23H34O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h13-14,18-21H,5-12H2,1-4H3/t14-,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey PXCKOQHPOYLYPE-KZJFZMNRSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7kAKdLCxRek
Name 4-Pregnen-20.alpha.-ol-3-one, acetate(ester)
Comments Computed using HOSE algorithm
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Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h13-14,18-21H,5-12H2,1-4H3/t14-,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey PXCKOQHPOYLYPE-KZJFZMNRSA-N
Molecular Weight 358.522 g/mol
SMILES C1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](C)(OC(C)=O)[H])[H])[H])C)[H])[H])C)=O