Acevaltrate

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Properties Simple | Detailed

Formula C24H32O10
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-acetoxy-3-methyl-butanoate
Molecular Mass 480.505 g·mol−1
Heat of Formation -1746.2 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 572.62 Å 3
Surface Area 462.46 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • (acetyloxy)valepotriate
  • 1,7a-dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6h), 2'-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate, acetate)
  • 1,7a-dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6h),2-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate acetate
  • 3-acetoxy-3-methyl-butyric acid [(1s,6s,7r,7as)-4-(acetoxymethyl)-1-isovaleryloxy-spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] ester
  • 3-acetoxy-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
  • 4-acetoxymethyl-1,6,7,7a-tetrahydrocyclopenta(c)pyran-7-spiro-2'-oxiran-1,8-diyl 6-(beta-acetoxyisovalerat) 1-isovalerat oder 1-(beta-acetoxyisovalerat) 6-isovalerat
  • [(1s,6s,7r,7as)-4-(acetoxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetoxy-3-methyl-butanoate
  • [(1s,6s,7r,7as)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1h-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methyl-butanoate
  • acetovaltrate
  • acetoxyvaltrate
  • acevaltratum
  • butanoic acid, 3-(acetyloxy)-3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro(cyclopenta(c)pyran-7(1h),2'-oxiran)-6-yl ester, (1s-(1-alpha,6-alpha,7-beta,7a-alpha))-
CAS Number(s)
  • 25161-41-5
InChIKey FWKBQAVMKVZEOT-STCFVSJZSA-N
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