Cas no 63343-94-2 (6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-)

6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)- structure
63343-94-2 structure
Product Name:6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
CAS No:63343-94-2
MF:C21H22O5
MW:354.396386623383
CID:525755
PubChem ID:70698091
Update Time:2025-04-19

6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)- Chemical and Physical Properties

Names and Identifiers

    • 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
    • (6aR)-6aα,11aα-Dihydro-1-methoxy-2-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol
    • 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-butenyl)-, (6aR,11aR)- (9CI)
    • 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-butenyl)-, (6aR-cis)-
    • Edudiol
    • CHEBI:69095
    • UNII-V5BY9UB2VK
    • 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
    • Q27137436
    • 3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan
    • (6aR,11aR)-1-methoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,9-diol
    • (6aR,11aR)-1-methoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
    • AKOS040734613
    • (6aR,11aR)-1-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
    • V5BY9UB2VK
    • (6aR,11aR)-6a,11a-Dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-C)(1)benzopyran-3,9-diol
    • 63343-94-2
    • 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 6a,11a-dihydro-1-methoxy-2-(3-methyl-2-butenyl)-, (6ar-cis)-
    • Inchi： 1S/C21H22O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,15,21-23H,6,10H2,1-3H3/t15-,21+/m0/s1
    • InChI Key： HCBAFFVITJAXJE-YCRPNKLZSA-N
    • SMILES： O1C2C=C(C=CC=2[C@@H]2COC3C=C(C(C/C=C(\C)/C)=C(C=3[C@H]12)OC)O)O

Computed Properties

  • Exact Mass: 354.14676
  • Monoisotopic Mass: 354.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 531
  • 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
  • Topological Polar Surface Area: 68.2A^2
  • XLogP3: 4.2

Experimental Properties

  • PSA: 68.15

6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)- Related Literature

Related Categories

63343-94-2 (6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol,6a,11a-dihydro-1-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)-) Related Products

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