(3E,5R,9R,11E,12As,13S,15S,15As,16S,18As)-16-Benzyl-5,13-Dihydroxy-9,15-Dimethyl-14-Methylene-6,7,8,9,10,12A,13,14,15,15A,16,17-Dodecahydro-2H-Oxacyclotetradecino[2,3-D]Isoindole-2,18(5H)-Dione

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Formula C29H37NO5
IUPAC Name (1s,4e,6r,10r,12e,14s,15s,17s,18s,19s)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione
Molecular Mass 479.608 g·mol−1
Heat of Formation -780.0 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 601.48 Å 3
Surface Area 450.0 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • bcbcmap01_000011
  • cytochalasin b,<i> helminthosporium dematioideum
  • cytochalasin- b drechslera dematioidea
  • phomin
InChIKey GBOGMAARMMDZGR-TYHYBEHESA-N
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