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Pregn-5-en-20-one, 3,17-dihydroxy-, 3-acetate
SpectraBase Compound ID 950btKhnI9I
InChI InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3
InChIKey IQCNQJXIOWBNAT-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7i1kylXYqEN
Name Pregn-5-en-20-one, 3,17-dihydroxy-, 3-acetate
Alternate Name(s) Pregn-5-en-20-one, 3-(acetyloxy)-17-hydroxy-, (3.beta.)- 17-Hydroxy-20-oxopregn-5-en-3-yl acetate (17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate (17-ethanoyl-10,13-dimethyl-17-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) ethanoate Acetic acid (17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) ester Pregn-5-en-20-one, 3.beta.,17-dihydroxy-, 3-acetate EINECS 217-467-3 SKF 2814
CAS Registry Number 10343-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3
InChIKey IQCNQJXIOWBNAT-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES OC1(C2(C)C(C3C(C4(C)C(CC(OC(C)=O)CC4)=CC3)CC2)CC1)C(C)=O
SPLASH splash10-06r6-8951000000-fe2b55b1b2b38f82e844
Source of Spectrum EP-1340-0-0
Wiley ID 1356831