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[(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate
SpectraBase Compound ID 5EpVfY6qqpn
InChI InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,10,12,19-21H,4,6,8-9,11H2,1-3H3/t19-,20+,21+,22+/m1/s1
InChIKey UESVTJRTUBOKMJ-MLNNCEHLSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ldl2oFWT1SR
Name 3,17.beta.-Diacetoxyestra-1,3,5(10),9(11)-tetraene
CAS Registry Number 1169-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,10,12,19-21H,4,6,8-9,11H2,1-3H3/t19-,20+,21+,22+/m1/s1
InChIKey UESVTJRTUBOKMJ-MLNNCEHLSA-N
Molecular Weight 354.446 g/mol
SMILES C1=2[C@]([C@@]3(CC[C@@]([C@]3(CC2)C)(OC(=O)C)[H])[H])(CCc2c1ccc(OC(=O)C)c2)[H]
SPLASH splash10-0w29-0039000000-d16a4187c7d88faf0817
Source of Spectrum F-54-11916-11
Synonyms (17beta)-17-(acetyloxy)estra-1,3,5(10),9(11)-tetraen-3-yl acetate Acetic acid[(8S,13S,14S,17S)-3-acetoxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ester Acetic acid[(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ester [(8S,13S,14S,17S)-3-acetoxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethanoate Acetic acid [(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester [(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8S,13S,14S,17S)-3-acetoxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
Wiley ID 809049