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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 propyl 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 propyl ester
SpectraBase Compound ID 9NpjNF7s0hb
InChI InChI=1S/C27H41NO5/c1-5-14-32-24(30)16-28-25(31)23-9-8-21-20-7-6-18-15-19(33-17(2)29)10-12-26(18,3)22(20)11-13-27(21,23)4/h6,19-23H,5,7-16H2,1-4H3,(H,28,31)/t19-,20-,21-,22-,23+,26-,27-/m0/s1
InChIKey CMMBLJXRJNSBFE-QOGDKHJUSA-N
Mol Weight 459.6 g/mol
Molecular Formula C27H41NO5
Exact Mass 459.298473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3obsh8oNlu
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 propyl 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 propyl ester Propyl 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 Propyl 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 Propyl 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 C27H41NO5
InChI InChI=1S/C27H41NO5/c1-5-14-32-24(30)16-28-25(31)23-9-8-21-20-7-6-18-15-19(33-17(2)29)10-12-26(18,3)22(20)11-13-27(21,23)4/h6,19-23H,5,7-16H2,1-4H3,(H,28,31)/t19-,20-,21-,22-,23+,26-,27-/m0/s1
InChIKey CMMBLJXRJNSBFE-QOGDKHJUSA-N
Molecular Weight 459.627 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)OCCC
SPLASH splash10-0f6t-0019300000-a5f2424913778489b7d9
Source of Spectrum SK-23-840-7
Wiley ID 865578