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2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetic acid methyl ester

View entire compound with spectra: 1 MS (GC)

2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetic acid methyl ester
SpectraBase Compound ID HO0Uvl6WFbl
InChI InChI=1S/C25H37NO5/c1-15(27)31-17-9-11-24(2)16(13-17)5-6-18-19-7-8-21(23(29)26-14-22(28)30-4)25(19,3)12-10-20(18)24/h5,17-21H,6-14H2,1-4H3,(H,26,29)/t17-,18-,19-,20-,21+,24-,25-/m0/s1
InChIKey FWKUXOZICBIHID-ROKGUJHPSA-N
Mol Weight 431.6 g/mol
Molecular Formula C25H37NO5
Exact Mass 431.267173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kCmbJZxI7A
Name 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetic acid methyl ester
Alternate Name(s) 2-[[[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-oxomethyl]amino]acetic acid methyl ester Methyl 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetate Methyl 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]carbonylamino]ethanoate Methyl 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetate
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Formula C25H37NO5
InChI InChI=1S/C25H37NO5/c1-15(27)31-17-9-11-24(2)16(13-17)5-6-18-19-7-8-21(23(29)26-14-22(28)30-4)25(19,3)12-10-20(18)24/h5,17-21H,6-14H2,1-4H3,(H,26,29)/t17-,18-,19-,20-,21+,24-,25-/m0/s1
InChIKey FWKUXOZICBIHID-ROKGUJHPSA-N
Molecular Weight 431.573 g/mol
SMILES N(C([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC1)[H])C)[H])=O)CC(=O)OC
SPLASH splash10-00di-0019000000-5d3084c067dbb0f3b7a0
Source of Spectrum SK-23-840-7
Wiley ID 865580