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20,21-Dinoreburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-18-(1-hydroxyethyl)-, methyl ester, [14.alpha.,18.alpha.(S)]-
SpectraBase Compound ID BPiVPqSpv56
InChI InChI=1S/C21H26N2O4/c1-12(24)14-9-13-10-21(26,20(25)27-2)23-17-6-4-3-5-15(17)16-7-8-22(11-14)18(13)19(16)23/h3-6,12-14,18,24,26H,7-11H2,1-2H3/t12?,13?,14-,18?,21-/m0/s1
InChIKey UKQXOQIRZSCMSF-ZNBYQDPSSA-N
Mol Weight 370.45 g/mol
Molecular Formula C21H26N2O4
Exact Mass 370.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID sUJCxqeBgS
Name 20,21-Dinoreburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-18-(1-hydroxyethyl)-, methyl ester, [14.alpha.,18.alpha.(S)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.189257321 u
Formula C21H26N2O4
InChI InChI=1S/C21H26N2O4/c1-12(24)14-9-13-10-21(26,20(25)27-2)23-17-6-4-3-5-15(17)16-7-8-22(11-14)18(13)19(16)23/h3-6,12-14,18,24,26H,7-11H2,1-2H3/t12?,13?,14-,18?,21-/m0/s1
InChIKey UKQXOQIRZSCMSF-ZNBYQDPSSA-N
Molecular Weight 370.449 g/mol
SMILES [C@@]1(N2C3=C(CCN4C3C(C1)C[C@@](C4)(C(O)C)[H])C=1C2=CC=CC1)(C(=O)OC)O