Cyanthiwigin U

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (3as,5as,8s,10ar,10bs)-8-hydroxy-1-isopropyl-3a,5a,8-trimethyl-4,5,9,10,10a,10b-hexahydrocyclohepta[e]inden-3-one
Molecular Mass 302.451 g·mol−1
Heat of Formation -420.3 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 402.09 Å 3
Surface Area 312.14 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • cyclohept[e]inden-3(3ah)-one, 4,5,5a,8,9,10,10a,10b-octahydro-8-hydroxy-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3as,5as,8s,10ar,10bs)-
InChIKey XIHVWXFBGJURKU-RACLHMPKSA-N
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