(1R,4Br,5R,6Ar,10Ar,10Br,12Ar)-1-(3-Furyl)-1-(2-Hydroxyethoxy)-4B,7,7,10A,12A-Pentamethyl-3,8-Dioxo-3,4B,5,6,6A,7,8,10A,10B,11,12,12A-Dodecahydro-1H-Naphtho[2,1-F]Isochromen-5-Yl Acetate

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Properties Simple | Detailed

Formula C27H20O8
IUPAC Name carbon dioxide; (5z)-5,13-diethynyl-6-methyl-4,8-dimethylene-12-oxabicyclo[12.1.0]pentadeca-1(14),5-dien-2,9-diyne-7,11-dione; formaldehyde; prop-1-yn-1-ol
Molecular Mass 472.443 g·mol−1
Heat of Formation -1328.8 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 629.71 Å 3
Surface Area 443.52 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • 17-glycolyldeoxygedunin
  • [(1r,4br,5r,6ar,10ar,10br,12ar)-1-(3-furyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[3,4-f]isochromen-5-yl] acetate
  • [(1r,4br,5r,6ar,10ar,10br,12ar)-1-furan-3-yl-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[3,4-f]isochromen-5-yl] acetate
  • [(1r,4br,5r,6ar,10ar,10br,12ar)-1-furan-3-yl-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[3,4-f]isochromen-5-yl] ethanoate
  • acetic acid [(1r,4br,5r,6ar,10ar,10br,12ar)-1-(3-furyl)-1-(2-hydroxyethoxy)-3,8-diketo-4b,7,7,10a,12a-pentamethyl-5,6,6a,10b,11,12-hexahydronaphtho[3,4-f]isochromen-5-yl] ester
  • acetic acid [(1r,4br,5r,6ar,10ar,10br,12ar)-1-(3-furyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[3,4-f]isochromen-5-yl] ester
  • d-home-24-nor-17-oxachola-1,14,20-22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-17a-(2-hydroxyethoxy)-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,17aalpha)-
  • d-homo-24-nor-17-oxachola-1,14,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-17a-(2-hydroxyethoxy)-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,17aalpha)-
  • mahmoodin
CAS Number(s)
  • 140163-23-1
InChIKey HGUQPCAWIZIAKO-GALXXUDFSA-N
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