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(4aS,10aS)-4a-methyl-1-methylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

PubChem CID: 21606525

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Compound Synonyms CHEMBL496438
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Inchi Key SZHJFAKBIDRXRJ-PKOBYXMFSA-N
Rotatable Bond Count 1.0
Heavy Atom Count 20.0
Compound Name (4aS,10aS)-4a-methyl-1-methylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Exact Mass 268.183
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 268.183
Isotope Atom Count 0.0
Molecular Complexity 421.0
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 268.4
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 2.0
Iupac Name (4aS,10aS)-4a-methyl-1-methylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Total Atom Stereocenter Count 2.0
Nih Violation False
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C19H24O/c1-12(2)14-7-8-16-15(10-14)18(20)11-17-13(3)6-5-9-19(16,17)4/h7-8,10,12,17H,3,5-6,9,11H2,1-2,4H3/t17-,19+/m0/s1
Smiles CC(C)C1=CC2=C(C=C1)[C@]3(CCCC(=C)[C@@H]3CC2=O)C
Xlogp 4.8
Is Pains False
Defined Bond Stereocenter Count 0.0
Molecular Formula C19H24O

  • 1. Outgoing r'ship FOUND_IN to/from Eupatorium Glehni (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Picea Abies (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Picea Breweriana (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Picea Engelmannii (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Picea Glauca (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Picea Glehnii (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Picea Jezoensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Picea Mariana (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Picea Obovata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Picea Rubens (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Picea Sitchensis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Picea Vulgaris (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Pinus Picea (Plant) Rel Props:Reference:
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