Iriomoteolide 1A

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Formula C29H46O7
IUPAC Name (1s,2r,3e,6s,7r,10z,12r,13s,14e,17s)-1,2,13-trihydroxy-7-[(2s,3s)-3-hydroxy-2-methyl-butyl]-2,6,11,12-tetramethyl-19-methylene-8,21-dioxabicyclo[15.3.1]henicosa-3,10,14-trien-9-one
Molecular Mass 506.671 g·mol−1
Heat of Formation -1485.0 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 658.44 Å 3
Surface Area 462.7 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3e,6s,7r,10z,12r,13s,14e,17s)-1,2,13-trihydroxy-7-[(2s,3s)-3-hydroxy-2-methyl-butyl]-2,6,11,12-tetramethyl-19-methylene-8,21-dioxabicyclo[15.3.1]henicosa-3,10,14-trien-9-one
  • (1s,2r,3e,6s,7r,10z,12r,13s,14e,17s)-1,2,13-trihydroxy-7-[(2s,3s)-3-hydroxy-2-methyl-butyl]-2,6,11,12-tetramethyl-19-methylidene-8,21-dioxabicyclo[15.3.1]henicosa-3,10,14-trien-9-one
  • (1s,2r,3e,6s,7r,10z,12r,13s,14e,17s)-1,2,13-trihydroxy-7-[(2s,3s)-3-hydroxy-2-methylbutyl]-2,6,11,12-tetramethyl-19-methylene-8,21-dioxabicyclo[15.3.1]henicosa-3,10,14-trien-9-one
  • (1s,2r,3e,6s,7r,10z,12r,13s,14e,17s)-1,2,13-trihydroxy-7-[(2s,3s)-3-hydroxy-2-methylbutyl]-2,6,11,12-tetramethyl-19-methylidene-8,21-dioxabicyclo[15.3.1]henicosa-3,10,14-trien-9-one
InChIKey LZLQZSMXUGFMJF-OMEQKXGASA-N
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