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(3,17-diacetoxy)(17.alpha.)-19-Norprehna-1,3,5(10)-trien-20-yne

View entire compound with spectra: 1 MS (GC)

(3,17-diacetoxy)(17.alpha.)-19-Norprehna-1,3,5(10)-trien-20-yne
SpectraBase Compound ID IpTjUHhSUmt
InChI InChI=1S/C24H28O4/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/h1,7,9,14,20-22H,6,8,10-13H2,2-4H3/t20-,21-,22+,23+,24+/m1/s1
InChIKey UQWZWQYTKPEDAK-DJCPXJLLSA-N
Mol Weight 380.48 g/mol
Molecular Formula C24H28O4
Exact Mass 380.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tKqv3gB8Td
Name (3,17-diacetoxy)(17.alpha.)-19-Norprehna-1,3,5(10)-trien-20-yne
Alternate Name(s) (17beta)-17-(acetyloxy)-17-ethynylestra-1,3,5(10)-trien-3-yl acetate Acetic acid[(8R,9S,13S,14S,17R)-17-acetoxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(8R,9S,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester [(8R,9S,13S,14S,17R)-17-acetoxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]acetate [(8R,9S,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]acetate [(8R,9S,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ethanoate Acetic acid [(8R,9S,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(8R,9S,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate [(8R,9S,13S,14S,17R)-17-acetoxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate [(8R,9S,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate
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Formula C24H28O4
InChI InChI=1S/C24H28O4/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/h1,7,9,14,20-22H,6,8,10-13H2,2-4H3/t20-,21-,22+,23+,24+/m1/s1
InChIKey UQWZWQYTKPEDAK-DJCPXJLLSA-N
Molecular Weight 380.484 g/mol
SMILES [C@@]12([C@@](C#C)(OC(=O)C)CC[C@]2([C@@]2(CCc3c([C@]2(CC1)[H])ccc(OC(=O)C)c3)[H])[H])C
SPLASH splash10-03dr-0984000000-af386e8914d71bc87752
Source of Spectrum CJ-1992-0-0
Wiley ID 1359912