Cas no 83382-71-2 (Praeruptorin C)

Praeruptorin C structure
Praeruptorin C structure
Product Name:Praeruptorin C
CAS No:83382-71-2
MF:C24H28O7
MW:428.474927902222
CID:820489
PubChem ID:5320692
Update Time:2025-04-19

Praeruptorin C Chemical and Physical Properties

Names and Identifiers

    • Praeruptorin C
    • [(9R,10R)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
    • 2-methyl-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b)dipyran-9-ol ester of 2-butenolc acid
    • AKOS040758816
    • 72463-77-5
    • praeruptorine C
    • Praeruptorin-C
    • HY-N0079
    • s9487
    • DTXSID101100692
    • MS-27584
    • 83382-71-2
    • Wulongensin A
    • CS-0007119
    • 2-Butenoic acid, 2-methyl-, (9R,10R)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-
    • XCA46377
    • DA-77031
    • Inchi： 1S/C24H28O7/c1-7-14(4)23(27)30-22-21(29-18(26)12-13(2)3)19-16(31-24(22,5)6)10-8-15-9-11-17(25)28-20(15)19/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21-,22-/m1/s1
    • InChI Key： UFUVJROSOIXJGR-IULGZIFLSA-N
    • SMILES： O1C2C=CC3C=CC(=O)OC=3C=2[C@H]([C@H](C1(C)C)OC(/C(=C\C)/C)=O)OC(CC(C)C)=O

Computed Properties

  • Exact Mass: 428.18400
  • Monoisotopic Mass: 428.18350323 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 7
  • Complexity: 779
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 428.5
  • XLogP3: 4.4
  • Topological Polar Surface Area: 88.1?2

Experimental Properties

  • Density: 1.22
  • Boiling Point: 516.5°C at 760 mmHg
  • Flash Point: 221.4°C
  • Refractive Index: 1.56
  • PSA: 92.04000
  • LogP: 4.47240

Praeruptorin C Pricemore >>

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