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3.beta.,21-Diacetoxy-5.alpha.-pregn-14-en-20-one

View entire compound with spectra: 2 MS (GC)

3.beta.,21-Diacetoxy-5.alpha.-pregn-14-en-20-one
SpectraBase Compound ID Bz9x7KI7DhT
InChI InChI=1S/C25H36O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h7,17-19,21-22H,5-6,8-14H2,1-4H3/t17-,18-,19-,21-,22+,24-,25-/m0/s1
InChIKey FFGXPBBFDAUMSL-KZWBTSIGSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiZNpgKYxSj
Name 3.beta.,21-Diacetoxy-5.alpha.-pregn-14-en-20-one
Alternate Name(s) (3beta,5alpha)-21-(acetyloxy)-20-oxopregn-14-en-3-yl acetate 3.beta.,21-Diacetoxy-5.alpha.-pregn-16-en-20-one Acetic acid[2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl]ester Acetic acid[2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]ester [2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl]acetate [2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl]ethanoate [2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate Acetic acid [2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester [2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate [2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate [2-[(3S,5S,8R,9S,10S,13R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
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Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h7,17-19,21-22H,5-6,8-14H2,1-4H3/t17-,18-,19-,21-,22+,24-,25-/m0/s1
InChIKey FFGXPBBFDAUMSL-KZWBTSIGSA-N
Molecular Weight 416.558 g/mol
SMILES [C@]1(CC[C@]2([C@](C1)(CC[C@]1(C3=CC[C@](C(COC(=O)C)=O)([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)(OC(=O)C)[H]
SPLASH splash10-0006-9508000000-0d4135494a25fabd6f4e
Source of Spectrum KC-0-271-15
Wiley ID 787315