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7.alpha.-Methylestra-1,3,5(10),16-tetraene-3,17-diol Diacetate

View entire compound with spectra: 1 MS (GC)

7.alpha.-Methylestra-1,3,5(10),16-tetraene-3,17-diol Diacetate
SpectraBase Compound ID C77Ys7zmwxL
InChI InChI=1S/C23H28O4/c1-13-11-16-12-17(26-14(2)24)5-6-18(16)19-9-10-23(4)20(22(13)19)7-8-21(23)27-15(3)25/h5-6,8,12-13,19-20,22H,7,9-11H2,1-4H3/t13-,19-,20+,22-,23+/m1/s1
InChIKey YPBUGCARHVQQHL-RYIBULGNSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5edGFCc0Hcw
Name 7.alpha.-Methylestra-1,3,5(10),16-tetraene-3,17-diol Diacetate
Alternate Name(s) (7alpha)-17-(acetyloxy)-7-methylestra-1,3,5(10),16-tetraen-3-yl acetate Acetic acid[(7R,8R,9S,13S,14S)-3-acetoxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester Acetic acid[(7R,8R,9S,13S,14S)-3-acetyloxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester [(7R,8R,9S,13S,14S)-3-acetoxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(7R,8R,9S,13S,14S)-3-acetyloxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(7R,8R,9S,13S,14S)-3-acetyloxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ethanoate Acetic acid [(7R,8R,9S,13S,14S)-3-acetyloxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester [(7R,8R,9S,13S,14S)-3-acetyloxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(7R,8R,9S,13S,14S)-3-acetoxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(7R,8R,9S,13S,14S)-3-acetyloxy-7,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
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Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-13-11-16-12-17(26-14(2)24)5-6-18(16)19-9-10-23(4)20(22(13)19)7-8-21(23)27-15(3)25/h5-6,8,12-13,19-20,22H,7,9-11H2,1-4H3/t13-,19-,20+,22-,23+/m1/s1
InChIKey YPBUGCARHVQQHL-RYIBULGNSA-N
Molecular Weight 368.473 g/mol
SMILES c1(ccc2c(c1)C[C@]([C@]1([C@@]3(CC=C([C@@]3(C)CC[C@]21[H])OC(C)=O)[H])[H])(C)[H])OC(C)=O
SPLASH splash10-05gi-0191000000-12f1f8aa98c02214ca5e
Source of Spectrum E1-36-267-2
Wiley ID 1574635