Synchrocept B

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Properties Simple | Detailed

Formula C23H30O6
IUPAC Name methyl 7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienoate
Molecular Mass 402.481 g·mol−1
Heat of Formation -891.9 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 516.91 Å 3
Surface Area 450.54 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]cyclopentyl]hepta-4,5-dienoic acid methyl ester
  • methyl 7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]cyclopentyl]hepta-4,5-dienoate
InChIKey BYNHBQROLKAEDQ-GWXRFCNYSA-N
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Elements H C O