(3R,5Ar,10Bs,11R,11Ar)-9-Chloro-10B,11-Dihydroxy-7,8-Dimethoxy-2,3,6-Trimethyl-2,3,5A,6,10B,11-Hexahydro-3,11A-Epidithiopyrazino[1',2':1,5]Pyrrolo[2,3-B]Indole-1,4-Dione

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Formula C18H20ClN3O6S2
IUPAC Name (3r,5ar,10bs,11r,11ar)-9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione
Molecular Mass 473.951 g·mol−1
Heat of Formation -827.0 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 496.47 Å 3
Surface Area 363.53 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 3,11a-epidithio-11ah-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3-alpha,5a-alpha,10b-alpha,11-beta,11a-alpha)-
  • sporidesmin
CAS Number(s)
  • 1378-20-7
  • 1456-55-9
  • 54868-51-8
InChIKey QTONANGUNATZOU-ICTVWZTPSA-N
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