Sinuflexibilin

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Properties Simple | Detailed

Formula C21H36O6
IUPAC Name methyl 2-[(1s,3s,4r,7e,11r,12s)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-cyclotetradec-7-en-1-yl]prop-2-enoate
Molecular Mass 384.507 g·mol−1
Heat of Formation -1297.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 489.43 Å 3
Surface Area 348.26 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s,3s,4r,7e,11r,12s)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-1-cyclotetradec-7-enyl]acrylic acid methyl ester
  • 2-[(1s,3s,4r,7e,11r,12s)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-1-cyclotetradec-7-enyl]prop-2-enoic acid methyl ester
InChIKey XVIUENHSSMFKJB-SQAKYKOPSA-N
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