Methyl (19α)-19-Methyl-16,17,20,21-Tetradehydro-18-Oxayohimban-16-Carboxylate

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Properties Simple | Detailed

Formula C21H22N2O3
IUPAC Name methyl (1s,16s,20s)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate
Molecular Mass 350.411 g·mol−1
Heat of Formation -259.9 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 412.31 Å 3
Surface Area 355.15 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • cathenamine
CAS Number(s)
  • 63661-74-5
InChIKey BXTHVTLKWJZGAA-ODYMNIRHSA-N
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