Cas no 31652-69-4 (3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-,(1S,6bR,9aS,11bR)-)

3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-,(1S,6bR,9aS,11bR)- structure
31652-69-4 structure
Product Name:3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-,(1S,6bR,9aS,11bR)-
CAS No:31652-69-4
MF:C21H22O6
MW:370.395786762238
CID:311167
PubChem ID:169340
Update Time:2025-04-19

3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-,(1S,6bR,9aS,11bR)- Chemical and Physical Properties

Names and Identifiers

    • 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-,(1S,6bR,9aS,11bR)-
    • 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-,(
    • 3H-Furo(4,3,2-de)indeno(4,5-h)(2)benzopyran-3,6,9-trione, 1,6b-alpha,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a-beta,11b-beta-dimethyl-
    • (1R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-triene-6,11,16-trione
    • PD138081
    • 2-Oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione, 1-(methoxymethyl)-
    • 3H-FURO(4,3,2-DE)INDENO(4,5-H)-2-BENZOPYRAN-3,6,9-TRIONE, 1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHYL)-9A,11B-DIMETHYL-, (1S,6BR,9AS,11BR)-
    • 11-Deacetoxywortmannin
    • 11-Desacetoxywortmannin
    • CHEMBL13513
    • 3H-FURO(4,3,2-DE)INDENO(4,5-H)(2)BENZOPYRAN-3,6,9-TRIONE, 1,6B.ALPHA.,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHYL)-9A.BETA.,11B.BETA.-DIMETHYL-
    • CHEBI:207428
    • DESACETOXYWORTMANNIN
    • 1-(Methoxymethyl)-9a,11b-dimethyl-1,6b,7,8,9a,10,11,11b-octahydro-3H-furo[4,3,2-de]indeno[4,5-h][2]benzopyran-3,6,9-trione
    • DTXSID00953623
    • UNII-ULH6669QAN
    • 31652-69-4
    • ULH6669QAN
    • (1s,6br,9as,11br)-1-(methoxymethyl)-9a,11b-dimethyl-1,6b,7,8,9a,10,11,11b-octahydro-3h-furo[4,3,2-de]indeno[4,5-h]isochromene-3,6,9-trione
    • BRN 1408198
    • Q27291133
    • SCHEMBL13615655
    • Inchi: 1S/C21H22O6/c1-20-7-6-12-15(11(20)4-5-13(20)22)17(23)18-16-10(8-26-18)19(24)27-14(9-25-3)21(12,16)2/h8,11,14H,4-7,9H2,1-3H3/t11-,14+,20-,21-/m0/s1
    • InChI Key: GXVZXRZMWGYXMQ-DJOOALQISA-N
    • SMILES: O1C(C2=COC3C(C4=C(CC[C@]5(C)C(CC[C@H]54)=O)[C@@](C)([C@H]1COC)C=32)=O)=O

Computed Properties

  • Exact Mass: 370.14166
  • Monoisotopic Mass: 370.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 2
  • Complexity: 784
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 82.8?2

Experimental Properties

  • Density: 1.36
  • Boiling Point: 578.1°Cat760mmHg
  • Flash Point: 303.4°C
  • Refractive Index: 1.599
  • PSA: 82.81
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