Cas no 64917-82-4 (Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)-)

Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)- structure
64917-82-4 structure
Product Name:Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)-
CAS No:64917-82-4
MF:C29H28O9
MW:520.527229309082
CID:518468
PubChem ID:163067
Update Time:2025-04-19

Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)- Chemical and Physical Properties

Names and Identifiers

    • Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)-
    • Schisantherin D
    • Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)
    • (5R,6S,7S)-6-Hydroxy-13,14-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate
    • 1,3-benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5R,6S,7S)-
    • [ "" ]
    • Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer
    • DTXSID901316924
    • UNII-9DKR8Q4EZC
    • schizantherin D
    • FS-8817
    • [(11S,12S,13S)-12-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
    • CYCLOOCTA(1,2-F:3,4-F')BIS(1,3)BENZODIOXOLE-5,6-DIOL, 5,6,7,8-TETRAHYDRO-13,14-DIMETHOXY-6,7-DIMETHYL-, 5-BENZOATE, (5S,6S,7S,13AS)-
    • HY-N7543
    • SHISANTHERIN D
    • 64917-82-4
    • CHEMBL475880
    • CS-0133042
    • 9DKR8Q4EZC
    • Q27272401
    • DA-77752
    • Inchi: 1S/C29H28O9/c1-15-10-17-11-19-23(36-13-34-19)25(32-3)21(17)22-18(12-20-24(26(22)33-4)37-14-35-20)27(29(15,2)31)38-28(30)16-8-6-5-7-9-16/h5-9,11-12,15,27,31H,10,13-14H2,1-4H3/t15-,27-,29-/m0/s1
    • InChI Key: PGEJVRVFUGSAJF-SSEZWIOCSA-N
    • SMILES: O[C@]1(C)[C@H](C2C=C3C(=C(C=2C2C(=C4C(=CC=2C[C@@H]1C)OCO4)OC)OC)OCO3)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 520.173
  • Monoisotopic Mass: 520.173
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 5
  • Complexity: 848
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 102A^2
  • XLogP3: 4.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 675.7±55.0 °C at 760 mmHg
  • Flash Point: 223.7±25.0 °C
  • Refractive Index: 1.657
  • Vapor Pressure: 0.0±2.2 mmHg at 25°C

Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)- Security Information

Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, (5S,6S,7S)- Pricemore >>

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