Cas no 74515-47-2 (6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-)

6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)- structure
74515-47-2 structure
Product Name:6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-
CAS No:74515-47-2
MF:C21H22O5
MW:354.396386623383
CID:567420
PubChem ID:126540
Update Time:2025-04-19

6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)- Chemical and Physical Properties

Names and Identifiers

    • 6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-
    • 6H-Benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-, (6aS-cis)-
    • Cristacarpin
    • Erythrabyssin I
    • [ "Erythrabyssin I" ]
    • 3,6a-Dihydroxy-9-methoxy-10-prenylpterocarpan
    • AKOS032948945
    • 6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-
    • 74515-47-2
    • 6alpha-Hydroxyphaseollidin
    • HY-N3642
    • QJL3YN9QTA
    • 9-Methoxy-10-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol
    • CHEBI:3917
    • BDBM50317430
    • Erythrabissin I
    • Crystacarpin
    • CS-0023986
    • FS-8617
    • SCHEMBL4740053
    • Q27106245
    • 6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-, (6aS-cis)-
    • CHEMBL454849
    • LMPK12070114
    • (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
    • AKOS040761540
    • (6AR,11AS)-9-METHOXY-10-(3-METHYLBUT-2-ENYL)-6,11A-DIHYDRO-(1)BENZOFURO(3,2-C)CHROMENE-3,6A-DIOL
    • DTXSID20996032
    • DA-62503
    • Inchi: 1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
    • InChI Key: ZHPYEBFYLDGZKF-LEWJYISDSA-N
    • SMILES: O1C2C(C/C=C(\C)/C)=C(C=CC=2[C@@]2(COC3C=C(C=CC=3[C@H]12)O)O)OC

Computed Properties

  • Exact Mass: 354.14700
  • 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: 545
  • 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: 3.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.301
  • Boiling Point: 518.1°C at 760 mmHg
  • Flash Point: 267.1°C
  • Refractive Index: 1.636
  • PSA: 68.15000
  • LogP: 3.62320
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)- Security Information

6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)- Pricemore >>

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