Cas no 73483-88-2 ((4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one)

(4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one structure
73483-88-2 structure
Product Name:(4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one
CAS No:73483-88-2
MF:C20H28O2
MW:300.435126304626
CID:1765523
PubChem ID:121596713
Update Time:2025-04-21

(4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one Chemical and Physical Properties

Names and Identifiers

    • (4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one
    • Tetrachyrin
    • (-)-Tetrachyrin
    • Zoapatlin
    • 73483-88-2
    • (1S,2S,5R,8S,11R,12R)-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-one
    • FS-9435
    • AKOS040762418
    • Inchi: 1S/C20H28O2/c1-13-11-19-10-6-15-17(2)7-4-8-20(15,22-16(17)21)18(19,3)9-5-14(13)12-19/h14-15H,1,4-12H2,2-3H3/t14-,15+,17+,18-,19+,20-/m0/s1
    • InChI Key: ZPJLCCRNYWMMRT-SYXFZUODSA-N
    • SMILES: O1C([C@]2(C)CCC[C@]31[C@@H]2CC[C@]12CC(=C)[C@@H](CC[C@@]13C)C2)=O

Computed Properties

  • Exact Mass: 300.20900
  • Monoisotopic Mass: 300.208930132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 595
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.13±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 165-168 oC
  • Boiling Point: 436.6±24.0 °C at 760 mmHg
  • Flash Point: 184.7±20.3 °C
  • Solubility: Almost insoluble (0.02 g/l) (25 o C),
  • PSA: 26.30000
  • LogP: 4.63490
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

(4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one Security Information

(4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one Pricemore >>

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(4S,4aR,11aS)-4,11a-dimethyl-8-methylidenedodecahydro-1H-11b,4-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-13-one Related Literature

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