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Carbamic acid, [.alpha.-[[[(20-oxo-5.alpha.-pregnan-3.alpha.-yl)carbamoyl]methyl]carbamoyl]phenethyl]-, benzyl ester, L-

View entire compound with spectra: 1 MS (GC)

Carbamic acid, [.alpha.-[[[(20-oxo-5.alpha.-pregnan-3.alpha.-yl)carbamoyl]methyl]carbamoyl]phenethyl]-, benzyl ester, L-
SpectraBase Compound ID 8gYGFPNesIV
InChI InChI=1S/C40H53N3O5/c1-26(44)32-16-17-33-31-15-14-29-23-30(18-20-39(29,2)34(31)19-21-40(32,33)3)42-36(45)24-41-37(46)35(22-27-10-6-4-7-11-27)43-38(47)48-25-28-12-8-5-9-13-28/h4-13,29-35H,14-25H2,1-3H3,(H,41,46)(H,42,45)(H,43,47)
InChIKey JXEKRVISCGWORZ-UHFFFAOYSA-N
Mol Weight 655.9 g/mol
Molecular Formula C40H53N3O5
Exact Mass 655.398522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lJihlunHce
Name Carbamic acid, [.alpha.-[[[(20-oxo-5.alpha.-pregnan-3.alpha.-yl)carbamoyl]methyl]carbamoyl]phenethyl]-, benzyl ester, L-
Alternate Name(s) Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate (phenylmethyl) N-[1-[[2-[(17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate benzyl N-[1-[[2-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate benzyl N-[2-[[2-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamate N-[1-[[2-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester N-[2-[[2-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]carbamic acid benzyl ester
CAS Registry Number 16947-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H53N3O5
InChI InChI=1S/C40H53N3O5/c1-26(44)32-16-17-33-31-15-14-29-23-30(18-20-39(29,2)34(31)19-21-40(32,33)3)42-36(45)24-41-37(46)35(22-27-10-6-4-7-11-27)43-38(47)48-25-28-12-8-5-9-13-28/h4-13,29-35H,14-25H2,1-3H3,(H,41,46)(H,42,45)(H,43,47)
InChIKey JXEKRVISCGWORZ-UHFFFAOYSA-N
Molecular Weight 655.880 g/mol
SMILES N(C1CCC2(C)C(CCC3C4CCC(C(C)=O)C4(C)CCC23)C1)C(CNC(C(Cc1ccccc1)NC(=O)OCc1ccccc1)=O)=O
SPLASH splash10-0f6y-9261000000-633638d6ba1970bb20d1
Source of Spectrum T-67-5228-0
Wiley ID 65902