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(+)-(20S)-2-ALPHA-HYDROXY-20-(DIMETHYLAMINO)-3-BETA-PHTHALIMIDO-5-ALPHA-PREGNAN-4-BETA-YL_ACETATE
SpectraBase Compound ID B0kKpkRPx87
InChI InChI=1S/C33H46N2O5/c1-18(34(5)6)23-13-14-24-22-11-12-26-29(40-19(2)36)28(35-30(38)20-9-7-8-10-21(20)31(35)39)27(37)17-33(26,4)25(22)15-16-32(23,24)3/h7-10,18,22-29,37H,11-17H2,1-6H3/t18-,22-,23+,24-,25-,26-,27+,28-,29+,32+,33+/m0/s1
InChIKey YUUHBLRWEZLNID-WASWYHNUSA-N
Mol Weight 550.7 g/mol
Molecular Formula C33H46N2O5
Exact Mass 550.340673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2p33ch3h9Wb
Name (+)-(20S)-2-ALPHA-HYDROXY-20-(DIMETHYLAMINO)-3-BETA-PHTHALIMIDO-5-ALPHA-PREGNAN-4-BETA-YL_ACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H46N2O5
InChI InChI=1S/C33H46N2O5/c1-18(34(5)6)23-13-14-24-22-11-12-26-29(40-19(2)36)28(35-30(38)20-9-7-8-10-21(20)31(35)39)27(37)17-33(26,4)25(22)15-16-32(23,24)3/h7-10,18,22-29,37H,11-17H2,1-6H3/t18-,22-,23+,24-,25-,26-,27+,28-,29+,32+,33+/m0/s1
InChIKey YUUHBLRWEZLNID-WASWYHNUSA-N
Literature Reference Author L.C.CHANG,K.P.L.BHAT,E.PISHA,E.J.KENNELLY,H.H.S.FONG,J.M.PEZ ZUTO,A.D.KINGHORN
Literature Reference Citation J.NAT.PROD.,61,1257(1998)
Literature Reference DOI 10.1021/np980162x
Molecular Weight 550.739 g/mol
Solvent CDCl3
Source File Reference UWMZ976