Cas no 606-91-7 (Homopterocarpin)

Homopterocarpin structure
Homopterocarpin structure
Product Name:Homopterocarpin
CAS No:606-91-7
MF:C17H16O4
MW:284.30654
CID:837474
PubChem ID:101795
Update Time:2024-11-03

Homopterocarpin Chemical and Physical Properties

Names and Identifiers

    • Homopterocarpin
    • 6H-Benzofuro(3,2-c)(1)benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-rel-
    • 6H-benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-
    • 6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-rel-
    • 6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR-cis)-
    • 3,9-Dimethoxypterocarpan
    • 3,9-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene #
    • Q27195343
    • SR-05000002538
    • SpecPlus_000212
    • KBio1_001252
    • 6H-Benzofuro(3,2-c)(1)benzopyran, 6aalpha,11aalpha-dihydro-3,9-dimethoxy-, (-)-
    • Spectrum_000462
    • CHEBI:114197
    • Spectrum5_000198
    • KBio2_000942
    • SR-05000002538-1
    • KBio2_003510
    • CS-0024500
    • KBio3_000998
    • VPGIGLKLCFOWDN-YOEHRIQHSA-N
    • FS-9290
    • SPECTRUM100743
    • KBio2_006078
    • 6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, cis-(-)-
    • SDCCGMLS-0066372.P001
    • (6aR,11aR)-6a,11a-Dihydro-3,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran; (-)-Homopterocarpin; 3,9-Dimethoxypterocarpan
    • DivK1c_006308
    • Spectrum2_000372
    • SPBio_000523
    • SCHEMBL12810803
    • Spectrum4_001569
    • BRD-K71093375-001-03-5
    • KBioGR_002098
    • 6H-Benzofuro[3,2-c][1]benzopyran, 6a.alpha.,11a.alpha.-dihydro-3,9-dimethoxy-, (-)-
    • (6ar,11ar)-3,9-dimethoxy-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromene
    • Homopterocarpin isomer
    • BSPBio_001818
    • HY-N4037
    • 606-91-7
    • 3,9-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran
    • KBioSS_000942
    • AKOS040761842
    • CCG-38645
    • Spectrum3_000139
    • CHEMBL396671
    • (-)-6aalpha,11aalpha-Dihydro-3,9-dimethoxy-6H-benzofuro(3,2-c)(1)benzopyran
    • (6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran
    • NCGC00178980-01
    • DTXSID10976040
    • [ "" ]
    • Baphinitone
    • DA-54061
    • (1R,10R)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0(2),?.0(1)(1),(1)?]heptadeca-2,4,6,11,13,15-hexaene
    • Inchi: InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3/t14-,17-/m0/s1
    • InChI Key: VPGIGLKLCFOWDN-YOEHRIQHSA-N
    • SMILES: COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC

Computed Properties

  • Exact Mass: 284.10488
  • Monoisotopic Mass: 284.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 374
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 36.9?2

Experimental Properties

  • Color/Form: Oil
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 395.0±42.0 °C at 760 mmHg
  • Flash Point: 140.4±34.7 °C
  • PSA: 36.92
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Homopterocarpin Security Information

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