(3S,3Ar,4S,6S,6Ar,7E,10S,11Z,13R,15E,17Ar)-6,13-Dihydroxy-3-(1H-Indol-3-Ylmethyl)-4,10,12-Trimethyl-5-Methylene-2,3,3A,4,5,6,6A,9,10,13-Decahydro-1H-Cyclotrideca[D]Isoindole-1,14,17-Trione

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Formula C32H36N2O5
IUPAC Name (3s,3ar,4s,6s,6ar,7e,10s,11z,13r,15e,17ar)-6,13-dihydroxy-3-(1h-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1h-cyclotrideca[d]isoindole-1,14,17-trione
Molecular Mass 528.639 g·mol−1
Heat of Formation -565.1 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 649.22 Å 3
Surface Area 468.6 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • chaetoglobosin d
CAS Number(s)
  • 55945-73-8
InChIKey FTBNYQWFSWKCKW-MRSLDMDQSA-N
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