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Sucutinirane F

PubChem CID: 44139375

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Compound Synonyms Sucutinirane F, ((4aS,5R,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho(2,1-f)(1)benzofuran-6-yl) acetate, [(4aS,5R,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-6-yl] acetate, CHEMBL562243, 40776-54-3
Topological Polar Surface Area 59.7
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 572.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name [(4aS,5R,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-6-yl] acetate
Prediction Hob 1.0
Xlogp 4.8
Molecular Formula C22H32O4
Prediction Swissadme 1.0
Inchi Key UZCILNJWHPOAGV-AUULDNBDSA-N
Fcsp3 0.7727272727272727
Logs -4.539
Rotatable Bond Count 2.0
Logd 4.539
Compound Name Sucutinirane F
Prediction Hob Swissadme 1.0
Exact Mass 360.23
Formal Charge 0.0
Monoisotopic Mass 360.23
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 360.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -5.090470492307693
Inchi InChI=1S/C22H32O4/c1-12-14-7-10-25-16(14)11-15-17(12)19(26-13(2)23)18(24)20-21(3,4)8-6-9-22(15,20)5/h7,10,12,15,17-20,24H,6,8-9,11H2,1-5H3/t12-,15-,17-,18-,19+,20-,22+/m0/s1
Smiles C[C@@H]1[C@H]2[C@H](CC3=C1C=CO3)[C@]4(CCCC([C@@H]4[C@H]([C@@H]2OC(=O)C)O)(C)C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Adinandra Nitida (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Alnus Nitida (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Baphia Nitida (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Bowdichia Nitida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Bowdichia Virgilioides (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Coelogyne Nitida (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Cola Nitida (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Gentianella Nitida (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Gynoxys Nitida (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Litsea Nitida (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Millettia Nitida (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Pegia Nitida (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Strychnos Nitida (Plant) Rel Props:Reference:
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