(3Ar,7S,16As)-2,7-Dihydroxy-3-[(2S)-1-Hydroxy-2-Propanyl]-6,10,14,16A-Tetramethyl-4,7,8,9,12,13,16,16A-Octahydrocyclopenta[15]Annulen-1(3Ah)-One

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Properties Simple | Detailed

Formula C25H38O4
IUPAC Name (1r,3z,5s,8z,12z,15s)-5,17-dihydroxy-18-[(1s)-2-hydroxy-1-methyl-ethyl]-4,8,12,15-tetramethyl-bicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
Molecular Mass 402.567 g·mol−1
Heat of Formation -767.1 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 533.93 Å 3
Surface Area 394.13 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3z,7z,11s,12z,15r)-11,17-dihydroxy-16-[(1s)-2-hydroxy-1-methyl-ethyl]-1,4,8,12-tetramethyl-bicyclo[13.3.0]octadeca-3,7,12,16-tetraen-18-one
  • (1s,3z,7z,11s,12z,15r)-11,17-dihydroxy-16-[(1s)-2-hydroxy-1-methylethyl]-1,4,8,12-tetramethyl-18-bicyclo[13.3.0]octadeca-3,7,12,16-tetraenone
  • (1s,3z,7z,11s,12z,15r)-11,17-dihydroxy-16-[(2s)-1-hydroxypropan-2-yl]-1,4,8,12-tetramethyl-bicyclo[13.3.0]octadeca-3,7,12,16-tetraen-18-one
  • (1s,3z,7z,11s,12z,15r)-11,17-dihydroxy-16-[(2s)-1-hydroxypropan-2-yl]-1,4,8,12-tetramethylbicyclo[13.3.0]octadeca-3,7,12,16-tetraen-18-one
  • 1(3ah)-cyclopentacyclopentadecenone, 4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-(2-hydroxy-1-methylethyl)-6,10,14,16a-tetramethyl-, (3ar-(3(s*),3ar*,5e,7s*,10e,14e,16as*))-
CAS Number(s)
  • 146436-22-8
InChIKey UTGBBPSEQPITLF-QMDQJFAJSA-N
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