Cas no 24399-45-9 ([(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-7-yl] (Z)-2-methylbut-2-enoate)

[(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-7-yl] (Z)-2-methylbut-2-enoate structure
24399-45-9 structure
Product Name:[(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-7-yl] (Z)-2-methylbut-2-enoate
CAS No:24399-45-9
MF:C25H36O5
MW:416.55034828186
CID:257443
Update Time:2024-02-29

[(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-7-yl] (Z)-2-methylbut-2-enoate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(1aS,3aS,4R,5R,7R,7aS,7bR)-4-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-4,5,7a,7b-tetramethylnaphth[1,2-b]oxiren-7-ylester, (2Z)-
    • (Z)-2-Methyl-2-butenoic acid [(1aS,3aα)-4α-[2-(2,5-dihydro-5-oxofuran-3-yl)ethyl]decahydro-4,5α,7aα,7bα-tetramethylnaphtho[1,2-b]oxirene-7β-yl] ester
    • 2-Butenoic acid,2-methyl-,(1aS,3aS,4R,5R,7R,7aS,7bR)-4-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-4,5,7a,7b-tetramethyln
    • 17,18-Dinor-8bH-labd-13-en-15-oic acid,3,4-epoxy-6b,16-dihydroxy-5,9-dimethyl-, g-lactone, 2-methylcrotonate, (Z)-(8CI)
    • 2-Butenoic acid, 2-methyl-,4-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-4,5,7a,7b-tetramethylnaphth[1,2-b]oxiren-7-ylester, [1aS-[1aa,3aa,4a,5a,7b(Z),7aa,7ba]]-
    • Crotonic acid, 2-methyl-, ester with 3,4-epoxy-6b,16-dihydroxy-5,9-dimethyl-17,19-dinor-8bH-labd-13-en-15-oic acid g-lactone, (Z)- (8CI)
    • Elongatolide E
    • CSSGXDLJYUSHNP-ZSPJBMEVSA-
    • [(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexa
    • [(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-7-yl] (Z)-2-methylbut-2-enoate
    • Inchi： 1S/C25H36O5/c1-7-15(2)22(27)29-20-12-16(3)23(4,11-10-17-13-21(26)28-14-17)18-8-9-19-25(6,30-19)24(18,20)5/h7,13,16,18-20H,8-12,14H2,1-6H3/b15-7-/t16-,18+,19+,20-,23-,24+,25+/m1/s1
    • InChI Key： CSSGXDLJYUSHNP-ZSPJBMEVSA-N
    • SMILES： O1[C@H]2CC[C@H]3[C@](C)(CCC4=CC(=O)OC4)[C@H](C)C[C@H]([C@@]3(C)[C@@]12C)OC(/C(=C\C)/C)=O

Computed Properties

  • Exact Mass: 416.256
  • Monoisotopic Mass: 416.256
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 812
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 65.099

[(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-7-yl] (Z)-2-methylbut-2-enoate Related Literature

Related Categories

24399-45-9 ([(1As,3aS,4R,5R,7R,7aS,7bR)-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-7-yl] (Z)-2-methylbut-2-enoate) Related Products

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