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(2Z,6Z,8Z,10Z,12Z,14Z,16E,18E,20E,24E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol

PubChem CID: 6325554

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Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 42.0
Isotope Atom Count 0.0
Molecular Complexity 1100.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2Z,6Z,8Z,10Z,12Z,14Z,16E,18E,20E,24E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol
Prediction Hob 0.0
Xlogp 13.1
Molecular Formula C40H56O2
Prediction Swissadme 0.0
Inchi Key JEVVKJMRZMXFBT-NUJKBMONSA-N
Fcsp3 0.35
Logs -5.033
Rotatable Bond Count 18.0
Logd 4.44
Compound Name (2Z,6Z,8Z,10Z,12Z,14Z,16E,18E,20E,24E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol
Prediction Hob Swissadme 0.0
Exact Mass 568.428
Formal Charge 0.0
Monoisotopic Mass 568.428
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 568.9
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 13.0
Esol -10.4068932
Inchi InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9+,19-11-,20-12+,23-13-,24-14+,33-17-,34-18+,35-21-,36-22?,37-25-,38-26?,39-29-,40-30+
Smiles CC(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C)\C=C/C=C(/C)\C=C/C=C(/C)\CC/C=C(/C)\CO)/C)C)CC/C=C(\C)/CO
Nring 0.0
Defined Bond Stereocenter Count 11.0

  • 1. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Momordica Charantia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Rosa Canina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Solanum Dulcamara (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients
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