Cas no 64205-85-2 (2-Propenoic acid,2-(hydroxymethyl)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester)

2-Propenoic acid,2-(hydroxymethyl)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester structure
64205-85-2 structure
Product Name:2-Propenoic acid,2-(hydroxymethyl)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester
CAS No:64205-85-2
MF:C19H23ClO7
MW:398.834725618362
CID:513832
PubChem ID:182408
Update Time:2025-04-19

2-Propenoic acid,2-(hydroxymethyl)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,2-(hydroxymethyl)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester
    • 2-(Hydroxymethyl)propenoic acid 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-dimethylene-2-oxoazuleno[4,5-b]furan-4-yl ester
    • chlorojanerin
    • 9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
    • DTXSID60982752
    • [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
    • 64205-85-2
    • [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
    • 2-Propenoic acid, 2-(hydroxymethyl)-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,6aalpha,8beta,9alpha,9aalpha,9bbeta))-
    • (1R,3S,4R,5S,6S,7R,8S)-4-chloromethyl-3,4-diyhdroxy- 8-(4-hydroxymethacrylate)-1H,5H,6H,7H-guaia-10(14),11(13)-dien-6,12-olide,
    • Inchi： 1S/C19H23ClO7/c1-8-4-12(26-17(23)9(2)6-21)14-10(3)18(24)27-16(14)15-11(8)5-13(22)19(15,25)7-20/h11-16,21-22,25H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1
    • InChI Key： UHEMKMBRGXUBMJ-URUZQALBSA-N
    • SMILES： ClC[C@]1([C@H](C[C@H]2C(=C)C[C@@H]([C@H]3C(=C)C(=O)O[C@@H]3[C@H]21)OC(C(=C)CO)=O)O)O

Computed Properties

  • Exact Mass: 398.11329
  • Monoisotopic Mass: 398.113231
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 717
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 113
  • XLogP3: 0.4

Experimental Properties

  • Density: 1.4
  • Boiling Point: 607.9°C at 760 mmHg
  • Flash Point: 321.4°C
  • Refractive Index: 1.588
  • PSA: 113.29
  • LogP: 0.47130

2-Propenoic acid,2-(hydroxymethyl)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester Related Literature

Related Categories

64205-85-2 (2-Propenoic acid,2-(hydroxymethyl)-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-ylester) Related Products

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