Cas no 138883-56-4 ((+)-13-stemarene)

(+)-13-stemarene structure
(+)-13-stemarene structure
Product Name:(+)-13-stemarene
CAS No:138883-56-4
MF:C20H32
MW:272.468086242676
CID:2042535
PubChem ID:15161496
Update Time:2025-04-21

(+)-13-stemarene Chemical and Physical Properties

Names and Identifiers

    • (+)-13-stemarene
    • (+)-stemar-13-ene
    • Stemar-13-ene
    • syn-stemar-13-ene
    • (4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta[a]naphthalene
    • Q7607306
    • MCRAOCBPZAIHJQ-QBYKVAOYSA-N
    • Stemarene
    • CHEBI:50069
    • (1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene
    • LMPR0104030008
    • DTXSID501027117
    • C18223
    • 138883-56-4
    • Inchi: 1S/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1
    • InChI Key: MCRAOCBPZAIHJQ-QBYKVAOYSA-N
    • SMILES: [C@]123CC[C@@H](C(C)=C[C@@H]1CC[C@H]1C(C)(C)CCC[C@]21C)C3

Computed Properties

  • Exact Mass: 272.250401021g/mol
  • Monoisotopic Mass: 272.250401021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 457
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.7
  • Topological Polar Surface Area: 0?2

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