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Reserpine
SpectraBase Compound ID 6OOoogteCWN
InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27?,28?,31+/m1/s1
InChIKey QEVHRUUCFGRFIF-MAFIESSYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C33H40N2O9
Exact Mass 608.273381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAcnqMWzN9V
Name RESERPINE
Compound Number 44B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40N2O9
InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27?,28?,31+/m1/s1
InChIKey QEVHRUUCFGRFIF-MAFIESSYSA-N
Literature Reference Author E.WENKERT,C.J.CHANG,H.P.S.CHAWLA,D.W.COCHRAN,E.W.HAGAMAN,J.C .KING,K.ORITO
Literature Reference Citation J.AM.CHEM.SOC.,98,3645(1976)
Literature Reference DOI 10.1021/ja00428a044
Molecular Weight 608.689 g/mol
Solvent CDCl3
Source File Reference UNIW12854