Casearvestrin A

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Properties Simple | Detailed

Formula C28H40O8
IUPAC Name [(1s,3r,5s,6as,7r,8r,10s,10as)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
Molecular Mass 504.612 g·mol−1
Heat of Formation -1519.0 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 623.38 Å 3
Surface Area 470.39 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl rel-2-methylpropanoate
  • isobutyric acid 1,3-diacetoxy-10-hydroxy-7,8-dimethyl-7-(3-methyl-penta-2,4-dienyl)-3,5,6,6a,7,8,9,10-octahydro-2-oxa-cyclopenta[d]naphthalen-5-yl ester
  • propanoic acid, 2-methyl-, (3r,5s,6as,7r,8r,10s,10as)-1,3-bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methyl-2,4-pentadienyl]-1h-naphtho[1,8a-c]furan-5-yl ester
InChIKey PASSAFHUDJPXAL-BEEUCRQISA-N
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