Baldrisedon

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Properties Simple | Detailed

Formula C22H30O8
IUPAC Name [(1s,6s,7r,7as)-4-(acetoxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
Molecular Mass 422.469 g·mol−1
Heat of Formation -1363.7 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 519.13 Å 3
Surface Area 389.51 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid [(1s,6s,7r,7as)-4-(acetoxymethyl)-1-(3-methyl-1-oxobutoxy)-6-spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]yl] ester
  • 3-methylbutyric acid [(1s,6s,7r,7as)-4-(acetoxymethyl)-1-isovaleryloxy-spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] ester
  • [(1s,6s,7r,7as)-4-(acetoxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
  • [(1s,6s,7r,7as)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
  • megxp0_000900
  • valtrate
  • valtratum
CAS Number(s)
  • 18296-44-1
InChIKey BDIAUFOIMFAIPU-KVJIRVJXSA-N
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