(3Z,3As,5Ar,6S,7R,9Ar,9Bs)-7-Hydroxy-3-[(3E,5E,7S)-7-Hydroxy-6,10-Dimethyl-3,5,9-Undecatrien-2-Ylidene]-6-(Hydroxymethyl)-3A,6,9A-Trimethyldodecahydro-2H-Cyclopenta[A]Naphthalen-2-One

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Properties Simple | Detailed

Formula C28H16O4
IUPAC Name buta-1,3-diyn-1-ol; 15-buta-1,3-diynyl-14-methyl-4,8,12-trimethylene-16-oxabicyclo[11.3.0]hexadeca-1(13),14-dien-2,5,9-triyn-7-one; formaldehyde
Molecular Mass 416.424 g·mol−1
Heat of Formation -813.6 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 619.9 Å 3
Surface Area 494.91 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,3as,5ar,6s,7r,9ar,9bs)-7-hydroxy-3-[(2e,4e,6s)-6-hydroxy-1,5,9-trimethyl-deca-2,4,8-trienylidene]-3a,6,9a-trimethyl-6-methylol-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-2-one
  • (3z,3as,5ar,6s,7r,9ar,9bs)-7-hydroxy-3-[(3e,5e,7s)-7-hydroxy-6,10-dimethyl-undeca-3,5,9-trien-2-ylidene]-6-(hydroxymethyl)-3a,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-2-one
  • (3z,3as,5ar,6s,7r,9ar,9bs)-7-hydroxy-3-[(3e,5e,7s)-7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene]-6-(hydroxymethyl)-3a,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-2-one
  • (3z,3as,5ar,6s,7r,9ar,9bs)-7-hydroxy-6-(hydroxymethyl)-3-[(2e,4e,6s)-6-hydroxy-1,5,9-trimethyl-deca-2,4,8-trienylidene]-3a,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-2-one
  • (3z,3as,5ar,6s,7r,9ar,9bs)-7-hydroxy-6-(hydroxymethyl)-3-[(2e,4e,6s)-6-hydroxy-1,5,9-trimethyldeca-2,4,8-trienylidene]-3a,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]inden-2-one
InChIKey MXUIOSVDOIQSRC-VEQFRMPZSA-N
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