4-({(3S,3'R,4R,6'S,7S)-7-Acetoxy-4-[(2E,4E,6E)-2,4,6-Decatrienoyloxy]-6',7-Dimethyl-6,8-Dioxo-3',4,4',5',6,6',7,8-Octahydrospiro[Isochromene-3,2'-Pyran]-3'-Yl}Oxy)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C22H20O12
IUPAC Name 2-(dioxiran-3-yl)ethynol; ethanol; (3r)-6'-methylene-5,6-bis(oxomethylene)spiro[4ah-cyclopenta[c]pyran-3,2'-pyran]-3',4,7-trione
Molecular Mass 476.387 g·mol−1
Heat of Formation -1950.3 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 699.65 Å 3
Surface Area 588.02 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,3'r,4r,6's,7s)-7-acetoxy-4-[(2e,4e,6e)-deca-2,4,6-trienoyl]oxy-6',7-dimethyl-6,8-dioxo-spiro[4h-isochromene-3,2'-tetrahydropyran]-3'-yl]oxy-4-oxo-butanoic acid
  • 4-[(3s,3'r,4r,6's,7s)-7-acetoxy-4-[(2e,4e,6e)-deca-2,4,6-trienoyl]oxy-6,8-diketo-6',7-dimethyl-spiro[4h-isochromene-3,2'-tetrahydropyran]-3'-yl]oxy-4-keto-butyric acid
  • 4-[(3s,3'r,4r,6's,7s)-7-acetyloxy-4-[(2e,4e,6e)-deca-2,4,6-trienoyl]oxy-6',7-dimethyl-6,8-dioxo-spiro[4h-isochromene-3,2'-oxane]-3'-yl]oxy-4-oxo-butanoic acid
  • 4-[(3s,3'r,4r,6's,7s)-7-acetyloxy-4-[(2e,4e,6e)-deca-2,4,6-trienoyl]oxy-6',7-dimethyl-6,8-dioxospiro[4h-isochromene-3,2'-oxane]-3'-yl]oxy-4-oxobutanoic acid
  • 4-[[(3s,3'r,4r,6's,7s)-7-acetoxy-6',7-dimethyl-6,8-dioxo-4-[(2e,4e,6e)-1-oxodeca-2,4,6-trienoxy]-3'-spiro[4h-isochromene-3,2'-tetrahydropyran]yl]oxy]-4-oxobutanoic acid
  • butanedioic acid, mono[(3s,3's,4r)-7-(acetyloxy)-3',4,4',5',6,6',7,8-octahydro-6',7-dimethyl-6,8-dioxo-4-[[(2e,4e,6e)-1-oxo-2,4,6-decatrienyl]oxy]spiro[3h-2-benzopyran-3,2'-[2h]pyran]-3'-yl] ester
  • decipinin a
InChIKey BNUGSCJDRYIKLJ-MQKAEINHSA-N
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