Cas no 62163-24-0 (Mirandin B)

Mirandin B structure
Mirandin B structure
Product Name:Mirandin B
CAS No:62163-24-0
MF:C22H26O6
MW:386.438247203827
CID:1080862
PubChem ID:610509
Update Time:2025-04-20

Mirandin B Chemical and Physical Properties

Names and Identifiers

    • Mirandin B
    • NIRANDIN A
    • [ "" ]
    • 62163-24-0
    • AKOS032961876
    • nirandinA
    • (2S,3R,3aR)-3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one
    • MRRHZTMSIVTFSK-UHFFFAOYSA-N
    • 6(2H)-Benzofuranone, 3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-2-(3,4,5-trimethoxyphenyl)-, [2S-(2.alpha.,3.alpha.,3a.alpha.)]-
    • 5-Allyl-3a-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-3,3a-dihydro-1-benzofuran-6(2H)-one #
    • mirandin A
    • 2-epi-mirandin-A
    • Inchi: 1S/C22H26O6/c1-7-8-14-12-22(27-6)13(2)20(28-19(22)11-16(14)23)15-9-17(24-3)21(26-5)18(10-15)25-4/h7,9-13,20H,1,8H2,2-6H3
    • InChI Key: MRRHZTMSIVTFSK-UHFFFAOYSA-N
    • SMILES: O1C2=CC(C(CC=C)=CC2(C(C)C1C1C=C(C(=C(C=1)OC)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 386.17300
  • Monoisotopic Mass: 386.17293854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 654
  • 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: 63.2?2
  • XLogP3: 3.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.19±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 511.6±50.0 °C at 760 mmHg
  • Flash Point: 221.8±30.2 °C
  • Solubility: Very slightly soluble (0.7 g/l) (25 o C),
  • PSA: 63.22000
  • LogP: 3.77410
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

Mirandin B Security Information

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