Stigmatellin

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Properties Simple | Detailed

Formula C30H42O7
IUPAC Name formaldehyde; 5-methoxy-7-methylene-8-[2-[(1s)-3-methylene-2-(oxomethylene)-4-penta-1,3-diynyl-cyclopentyl]ethynyl]-[1,3]dioxolo[4,5-h]chromen-6-one
Molecular Mass 514.650 g·mol−1
Heat of Formation -1041.2 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 662.22 Å 3
Surface Area 557.84 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3s,4s,5s,6s,7e,9e,11e)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methyl-chromen-4-one
  • 2-[(3s,4s,5s,6s,7e,9e,11e)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methyl-chromone
  • 2-[(3s,4s,5s,6s,7e,9e,11e)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methyl-4-chromenone
  • 2-[(3s,4s,5s,6s,7e,9e,11e)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
  • sma
CAS Number(s)
  • 91682-96-1
InChIKey UZHDGDDPOPDJGM-CVOZLMQJSA-N
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