Ethyl (2E)-3-[(1S,3R,5Z,7E,22E,24R)-1,3,24-Trihydroxy-26,27-Cyclo-9,10-Secocholesta-5,7,10,22-Tetraen-25-Yl]Acrylate

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Properties Simple | Detailed

Formula C32H46O5
IUPAC Name ethyl (e)-3-[1-[(e,1r,4r)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-hydroxy-pent-2-enyl]cyclopropyl]prop-2-enoate
Molecular Mass 510.705 g·mol−1
Heat of Formation -807.7 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 676.33 Å 3
Surface Area 544.39 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[1-[(e,1r,4r)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-hydroxy-pent-2-enyl]cyclopropyl]acrylic acid ethyl ester
  • (e)-3-[1-[(e,1r,4r)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropyl]prop-2-enoic acid ethyl ester
  • ethyl (e)-3-[1-[(e,1r,4r)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-hydroxy-pent-2-enyl]cyclopropyl]prop-2-enoate
  • ethyl (e)-3-[1-[(e,1r,4r)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-hydroxy-pent-2-enyl]cyclopropyl]prop-2-enoate
  • ethyl (e)-3-[1-[(e,1r,4r)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropyl]prop-2-enoate
InChIKey FUDAEUIGIJZUAY-UMIRZPQISA-N
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