John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4Dk9uhpIjFl SpectraBase Spectrum ID=IzKG3yJrmjG

(accessed ).
(+)-(20S)-20-(DIMETHYLAMINO)-16-ALPHA-HYDROXY-3-(3'-ALPHA-ISOPROPYL)-LACTAM-5-ALPHA-PREGN-2-EN-4-ONE
SpectraBase Compound ID 4Dk9uhpIjFl
InChI InChI=1S/C29H46N2O3/c1-16(2)19-15-31(27(19)34)23-11-13-28(4)20-10-12-29(5)22(18(20)8-9-21(28)26(23)33)14-24(32)25(29)17(3)30(6)7/h11,16-22,24-25,32H,8-10,12-15H2,1-7H3/t17-,18+,19+,20-,21-,22-,24+,25-,28+,29-/m0/s1
InChIKey UOUGFQVCCBWYHB-OONNJSFRSA-N
Mol Weight 470.7 g/mol
Molecular Formula C29H46N2O3
Exact Mass 470.350844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzKG3yJrmjG
Name (+)-(20S)-20-(DIMETHYLAMINO)-16-ALPHA-HYDROXY-3-(3'-ALPHA-ISOPROPYL)-LACTAM-5-ALPHA-PREGN-2-EN-4-ONE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46N2O3
InChI InChI=1S/C29H46N2O3/c1-16(2)19-15-31(27(19)34)23-11-13-28(4)20-10-12-29(5)22(18(20)8-9-21(28)26(23)33)14-24(32)25(29)17(3)30(6)7/h11,16-22,24-25,32H,8-10,12-15H2,1-7H3/t17-,18+,19+,20-,21-,22-,24+,25-,28+,29-/m0/s1
InChIKey UOUGFQVCCBWYHB-OONNJSFRSA-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 470.696 g/mol
Solvent CDCl3
Source File Reference UWMZ974
SpectraBase Batch ID BwZ2MiSLYnC