Cas no 27781-60-8 ((S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione)

(S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione structure
27781-60-8 structure
Product Name:(S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione
CAS No:27781-60-8
MF:C23H24O5
MW:380.433667182922
CID:270597
Update Time:2024-02-29

(S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione Chemical and Physical Properties

Names and Identifiers

    • 2H-Furo[3,2-g][2]benzopyran-2,9(9aH)-dione,3-acetyl-6-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9a-methyl-, (9aS)-
    • (+)-Rotiorin
    • 2H-Furo[3,2-g][2]benzopyran-2,9(9aH)-dione,3-acetyl-6-(3,5-dimethyl-1,3-heptadienyl)-9a-methyl-, [S-[R*,R*-(E,E)]]- (8CI)
    • 2H-Furo[3,2-g][2]benzopyran-2,9(9aH)-dione,3-acetyl-6-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-, (9aS)- (9CI)
    • Rotiorin
    • Rotiorine
    • 84M8SHQ8LY
    • Q27269533
    • 2H-Furo(3,2-g)(2)benzopyran-2,9(9ah)-dione, 3-acetyl-6-((1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl)-9a-methyl-, (9aS)-
    • 2H-Furo(3,2-g)(2)benzopyran-2,9(9ah)-dione, 3-acetyl-6-(3,5-dimethyl-1,3-heptadienyl)-9a-methyl-, (S-(R*,R*-(E,E)))-
    • CID 90470745
    • (S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione
    • 2H-Furo[3,2-g][2]benzopyran-2,9(9aH)-dione, 3-acetyl-6-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9a-methyl-, (9aS)-
    • Inchi： 1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23-/m0/s1
    • InChI Key： CJMOMVNHRUTOJX-WCUWGRSFSA-N
    • SMILES： O1C(C(C(C)=O)=C2C=C3C=C(/C=C/C(/C)=C/[C@@H](C)CC)OC=C3C([C@@]12C)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 952
  • Topological Polar Surface Area: 69.7

(S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione Related Literature

Related Categories

27781-60-8 ((S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione) Related Products

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