Cas no 80618-96-8 ((1E,4S,6R,7E,9R,12S,12aR,13S,13aR,14aS,14bR)-12-benzyl-6-hydroxy-4,6,13,13a-tetramethyl-10-oxo-4,5,6,9,10,11,12,12a,13,13a,14a,14b-dodecahydro-3H-cycloundeca[d]oxireno[f]isoindol-9-yl acetate)

(1E,4S,6R,7E,9R,12S,12aR,13S,13aR,14aS,14bR)-12-benzyl-6-hydroxy-4,6,13,13a-tetramethyl-10-oxo-4,5,6,9,10,11,12,12a,13,13a,14a,14b-dodecahydro-3H-cycloundeca[d]oxireno[f]isoindol-9-yl acetate structure
80618-96-8 structure
Product Name:(1E,4S,6R,7E,9R,12S,12aR,13S,13aR,14aS,14bR)-12-benzyl-6-hydroxy-4,6,13,13a-tetramethyl-10-oxo-4,5,6,9,10,11,12,12a,13,13a,14a,14b-dodecahydro-3H-cycloundeca[d]oxireno[f]isoindol-9-yl acetate
CAS No:80618-96-8
MF:C30H39NO5
MW:493.634369134903
CID:1801485
PubChem ID:6440671
Update Time:2025-04-21

(1E,4S,6R,7E,9R,12S,12aR,13S,13aR,14aS,14bR)-12-benzyl-6-hydroxy-4,6,13,13a-tetramethyl-10-oxo-4,5,6,9,10,11,12,12a,13,13a,14a,14b-dodecahydro-3H-cycloundeca[d]oxireno[f]isoindol-9-yl acetate Chemical and Physical Properties

Names and Identifiers

    • (1E,4S,6R,7E,9R,12S,12aR,13S,13aR,14aS,14bR)-12-benzyl-6-hydroxy-4,6,13,13a-tetramethyl-10-oxo-4,5,6,9,10,11,12,12a,13,13a,14a,14b-dodecahydro-3H-cycloundeca[d]oxireno[f]isoindol-9-yl acetate
    • MLS000563208
    • SMR000470863
    • Epoxycytochalasin H
    • 21-Acetoxy-6,7-epoxy-18-hydroxy-10-phenyl-5,6,16,18-tetramethyl(11)cytochalasa-13,19-dien-1-one
    • 80618-96-8
    • DTXSID401338753
    • 10H-Cycloundec(d)oxireno(f)isoindol-10-one, 9-(acetyloxy)-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-6-hydroxy-4,6,13,13a-tetramethyl-12-(phenylmethyl)-, (1E,4S,6R,7E,9R,9aR,12S,12aR,13S,13aR,14aS,14bR)-
    • Inchi： 1S/C30H39NO5/c1-18-10-9-13-22-26-29(5,36-26)19(2)25-23(16-21-11-7-6-8-12-21)31-27(33)30(22,25)24(35-20(3)32)14-15-28(4,34)17-18/h6-9,11-15,18-19,22-26,34H,10,16-17H2,1-5H3,(H,31,33)
    • InChI Key： QHZKOXCMCJMHJE-UHFFFAOYSA-N
    • SMILES： CC1C2(C(O2)C2C=CCC(CC(C=CC(C32C1C(NC3=O)CC1C=CC=CC=1)OC(=O)C)(O)C)C)C

Computed Properties

  • Exact Mass: 493.28282334g/mol
  • Monoisotopic Mass: 493.28282334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 4
  • Complexity: 940
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.915
  • Topological Polar Surface Area: 88.2?2

(1E,4S,6R,7E,9R,12S,12aR,13S,13aR,14aS,14bR)-12-benzyl-6-hydroxy-4,6,13,13a-tetramethyl-10-oxo-4,5,6,9,10,11,12,12a,13,13a,14a,14b-dodecahydro-3H-cycloundeca[d]oxireno[f]isoindol-9-yl acetate Related Literature

Related Categories

80618-96-8 ((1E,4S,6R,7E,9R,12S,12aR,13S,13aR,14aS,14bR)-12-benzyl-6-hydroxy-4,6,13,13a-tetramethyl-10-oxo-4,5,6,9,10,11,12,12a,13,13a,14a,14b-dodecahydro-3H-cycloundeca[d]oxireno[f]isoindol-9-yl acetate) Related Products

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