Cas no 268214-50-2 (Coronalolide methyl ester)

Coronalolide methyl ester structure
Coronalolide methyl ester structure
Product Name:Coronalolide methyl ester
CAS No:268214-50-2
MF:C31H44O5
MW:496.68
CID:837653
PubChem ID:5093884
Update Time:2025-04-27

Coronalolide methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoicacid,4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexen-1-yl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-,methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)-
    • 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoicacid,4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexenyl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-,methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)- (9CI)
    • Coronalolide methylester
    • NSC 680073
    • 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoicacid,4-[(1R,4E)-1,5-dim...
    • 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoicacid,4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexen-1-yl]dodeca
    • 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoicacid,4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexen-1-yl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-,methyl ester, (1aS,3aR,4R,6aS,6bS,
    • methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-5-methylidene-14-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate
    • 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoic acid, 4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexenyl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR); NSC 680073
    • NSC680073
    • CHEMBL563275
    • Coronalolide methyl ester
    • HY-N3627
    • CS-0023961
    • FS-9691
    • Coronalolide methyl este
    • AKOS040761531
    • 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoic acid, 4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexenyl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)-
    • methyl 3-[[(E,1R)-1,5-dimethyl-6-oxo-hex-4-enyl]-dimethyl-methylene-oxo-[?]yl]propanoate
    • NSC-680073
    • methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-5-methylidene-14-[(E,2R)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.0^{1,3.0^{4,8.0^{11,15]heptadecan-3-yl]propanoate
    • Inchi: 1S/C31H44O5/c1-19(17-32)8-7-9-20(2)22-10-12-29(5)24-16-23-26(21(3)27(34)36-23)31(13-11-25(33)35-6)18-30(24,31)15-14-28(22,29)4/h8,17,20,22-24,26H,3,7,9-16,18H2,1-2,4-6H3/b19-8+/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
    • InChI Key: FPFAZZFTBDKRJL-PXERRMOCSA-N
    • SMILES: O1C(C(=C)[C@@H]2[C@H]1C[C@H]1[C@]3(C)CC[C@H]([C@H](C)CC/C=C(/C=O)\C)[C@@]3(C)CC[C@@]31C[C@@]32CCC(=O)OC)=O

Computed Properties

  • Exact Mass: 496.31900
  • Monoisotopic Mass: 496.31887450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 9
  • Complexity: 1010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 6.9
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 607.3±20.0 °C at 760 mmHg
  • Flash Point: 254.5±21.8 °C
  • PSA: 69.67000
  • LogP: 6.21170
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

Coronalolide methyl ester Security Information

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