Cas no 877822-41-8 (2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI))

2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI) structure
877822-41-8 structure
Product Name:2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI)
CAS No:877822-41-8
MF:C24H30O9
MW:462.489608287811
CID:822696
PubChem ID:71463992
Update Time:2025-04-19

2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI) Chemical and Physical Properties

Names and Identifiers

    • Eupalinolide A
    • Eupalinolide B
    • [9-Acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]f
    • Eupalinolide I
    • AC-35004
    • Eupalinolide-A
    • HY-N0753
    • (3aR,4R,6Z,9S,10E,11aR)-9-(Acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methylbut-2-enoate
    • AKOS016012040
    • 877822-41-8
    • CS-0009781
    • DTXSID50855825
    • 877822-40-7
    • 2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI)
    • MDL： N/A
    • Inchi： 1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3/b13-8+,14-10+,18-6-/t19-,20+,21+,22-/m0/s1
    • InChI Key： HPWMABTYJYZFLK-FHEQDPKSSA-N
    • SMILES： O1C(C(=C)[C@H]2[C@H]1C=C(C)[C@H](CC=C(COC(C)=O)C[C@H]2OC(/C(=C/CO)/C)=O)OC(C)=O)=O |c:7,12|

Computed Properties

  • Exact Mass: 462.18900
  • Monoisotopic Mass: 462.18898253 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 9
  • Complexity: 909
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 3
  • XLogP3: 1.2
  • Topological Polar Surface Area: 125
  • Molecular Weight: 462.5

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.24±0.1 g/cm3 (20 oC 760 Torr)
  • Boiling Point: 618.6±55.0 °C at 760 mmHg
  • Flash Point: 205.4±25.0 °C
  • PSA: 125.43000
  • LogP: 2.09590

2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI) Security Information

2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI) Pricemore >>

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2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI) Related Literature

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877822-41-8 (2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- (9CI, ACI)) Related Products

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