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Ethynodiol diacetate

View entire compound with spectra: 1 NMR, 4 FTIR, 2 Raman, and 3 MS (GC)

Ethynodiol diacetate
SpectraBase Compound ID Dmk2x9ppFhu
InChI InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChIKey ONKUMRGIYFNPJW-KIEAKMPYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHn04Z5hKkZ
Name (3-.beta.,17-.alpha.)-19-Norpregn-4-en-20-yne-3,17-diol diacetate
Alternate Name(s) .beta.-Ethynodiol diacetate 19-Nor-17-.alpha.-pregn-4-en-20-yne-3-.beta.,17-diol diacetate 19-Nor-17.alpha.-pregn-4-en-20-yn-3.beta.,17-diol diacetate 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3.beta.,17.alpha.)- 19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3beta,17alpha)- Cervicundin Continuin Ethinodiol diacetate Ethynodiol acetate Ethynodiol diacetate Ethynodiol diacetate (jan/usp) Etynodiol di(acetate) Femulen Luteonorm Luto-metrodiol Metrodiol Metrodiol diacetate Metrulen Ovulen Ovulen 50 Acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate 8080 C. B. CCRIS 305 EINECS 206-044-9 SC 11800
CAS Registry Number 297-76-7
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Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChIKey ONKUMRGIYFNPJW-KIEAKMPYSA-N
Molecular Weight 384.516 g/mol
SMILES C1[C@](OC(C)=O)(C=C2CC[C@@]3([C@@]([C@]2(C1)[H])(CC[C@@]1([C@](CC[C@@]31[H])(OC(C)=O)C#C)C)[H])[H])[H]
SPLASH splash10-01vp-2912000000-fbebcc5171ee52373b66
Source of Spectrum PG-1982-1104-0
Wiley ID 1361809