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Epoxynepapakistamine-A [(20S)-20-(N-methylamino)-3.beta.-(tigloylamino)-5.alpha.-pregna-16.alpha.,17.alpha.-epoxy-2.beta.,4.beta.-di-O-acetate]

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

Epoxynepapakistamine-A [(20S)-20-(N-methylamino)-3.beta.-(tigloylamino)-5.alpha.-pregna-16.alpha.,17.alpha.-epoxy-2.beta.,4.beta.-di-O-acetate]
SpectraBase Compound ID 4WzwNPKpsOv
InChI InChI=1S/C31H48N2O6/c1-9-16(2)28(36)33-26-24(37-18(4)34)15-29(6)21-12-13-30(7)23(14-25-31(30,39-25)17(3)32-8)20(21)10-11-22(29)27(26)38-19(5)35/h9,17,20-27,32H,10-15H2,1-8H3,(H,33,36)/b16-9+/t17-,20+,21-,22-,23-,24-,25+,26-,27+,29+,30-,31+/m0/s1
InChIKey WMEAPXSFCMQXCW-SJXBBCLOSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H48N2O6
Exact Mass 544.351237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6kf41X3c6Q
Name EPOXYNEPAPAKISTAMINE-A;(20S)-20-(N-METHYLAMINO)-3-BETA-(TIGLOYL-AMINO)-5-ALPHA-PREGNA-16-ALPHA,17-ALPHA-EPOXY-2-BETA,4-BETA-DI-O-ACETATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48N2O6
InChI InChI=1S/C31H48N2O6/c1-9-16(2)28(36)33-26-24(37-18(4)34)15-29(6)21-12-13-30(7)23(14-25-31(30,39-25)17(3)32-8)20(21)10-11-22(29)27(26)38-19(5)35/h9,17,20-27,32H,10-15H2,1-8H3,(H,33,36)/b16-9+/t17-,20+,21-,22-,23-,24-,25+,26-,27+,29+,30-,31+/m0/s1
InChIKey WMEAPXSFCMQXCW-SJXBBCLOSA-N
Literature Reference Author S.K.KALAUNI,M.I.CHOUDHARY,A.KHALID,M.D.MANANDHAR,F.SHAHEEN,A .U.RAHMAN,M.B.GEWALI
Literature Reference Citation CHEM.PHARM.BULL.,50,1423(2002)
Literature Reference DOI 10.1248/cpb.50.1423
Molecular Weight 544.732 g/mol
Solvent CDCl3
Source File Reference UWMS20202