Cas no 83807-70-9 (Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)-)

Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)- structure
83807-70-9 structure
Product Name:Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)-
CAS No:83807-70-9
MF:C22H32O3
MW:344.487687110901
CID:734160
PubChem ID:158578
Update Time:2025-04-19

Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)- Chemical and Physical Properties

Names and Identifiers

    • Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)-
    • DTXSID801003881
    • Vinhaticyl acetate
    • 83807-70-9
    • Phenanthro(3,2-b)furan-4-methanol, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, acetate, (4R-(4alpha,4aalpha,6abeta,7alpha,11aalpha,11bbeta))-
    • (4,7,11b-Trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl)methyl acetate
    • Inchi: 1S/C22H32O3/c1-14-16-6-7-20-21(3,13-25-15(2)23)9-5-10-22(20,4)18(16)12-19-17(14)8-11-24-19/h8,11,14,16,18,20H,5-7,9-10,12-13H2,1-4H3/t14-,16+,18+,20+,21+,22-/m1/s1
    • InChI Key: AJKLRWLLBORSIX-FMKAMBKWSA-N
    • SMILES: O1C=CC2=C1C[C@H]1[C@H]([C@H]2C)CC[C@H]2[C@](C)(COC(C)=O)CCC[C@@]21C

Computed Properties

  • Exact Mass: 344.235145
  • Monoisotopic Mass: 344.235145
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 531
  • 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
  • Topological Polar Surface Area: 39.4
  • XLogP3: 5.7

Experimental Properties

  • Density: 1.032
  • Boiling Point: 418.8°Cat760mmHg
  • Flash Point: 175.2°C
  • Refractive Index: 1.499

Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)- Related Literature

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