Cas no 150135-35-6 (2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester, (2E)- (9CI))

2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester, (2E)- (9CI) structure
150135-35-6 structure
Product Name:2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester, (2E)- (9CI)
CAS No:150135-35-6
MF:C19H20O6
MW:344.358506202698
CID:206238
PubChem ID:6444285
Update Time:2025-04-19

2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester, (2E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester, (2E)- (9CI)
    • Qianhucoumarin A
    • [(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
    • 2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester, (2E
    • 3'-Hydroxy-4'-tigloyloxy-3',4'-dihydroseslin
    • 4'-Angeloyloxy-3'-hydroxy-3',4'-dihydroseselin
    • Quianhucoumarin A
    • 150135-35-6
    • HY-N8632
    • CS-0148767
    • AKOS040762262
    • 2-Butenoic acid, 2-methyl-, 9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(E)))-
    • FS-7922
    • [(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
    • G88996
    • DA-67054
    • Inchi: 1S/C19H20O6/c1-5-10(2)18(22)24-16-14-12(25-19(3,4)17(16)21)8-6-11-7-9-13(20)23-15(11)14/h5-9,16-17,21H,1-4H3/b10-5+/t16-,17-/m1/s1
    • InChI Key: QPLSCFLMIOADPA-AVTSYZAUSA-N
    • SMILES: O1C2C=CC3C=CC(=O)OC=3C=2[C@H]([C@H](C1(C)C)O)OC(/C(=C/C)/C)=O

Computed Properties

  • Exact Mass: 344.12600
  • Monoisotopic Mass: 344.12598835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 619
  • 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
  • XLogP3: 2.6
  • Topological Polar Surface Area: 82.1?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 85.97000
  • LogP: 2.87540

2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester, (2E)- (9CI) Pricemore >>

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