Segetalin B

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Properties Simple | Detailed

Formula C24H32N6O5
IUPAC Name (3s,6s,9s,12s)-6-(indol-1-ium-3-ylmethyl)-12-isopropyl-3,9-dimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
Molecular Mass 484.548 g·mol−1
Heat of Formation -809.6 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 586.82 Å 3
Surface Area 442.83 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,9s,12s)-6-(1h-indol-3-ylmethyl)-12-isopropyl-3,9-dimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
  • (3s,6s,9s,12s)-6-(1h-indol-3-ylmethyl)-3,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
InChIKey VBQDUSUKSGAFMN-OACKDKIBSA-N
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