Chemical Compound

AC1LCT4M

AC1LCT4M chemical structure
Primary Record

AC1LCT4M

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
636902
SMILES
C[C@@H]1CC(=O)[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC[C@@]2(CCl)O)COC(=O)C
Canonical SMILES
CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl

Names & Synonyms

  • AC1LCT4M
  • CID636902
  • 19-Acetoxy-18-chloro-4alpha-hydroxy-6-oxoneoclerod-13-en-15,16-olide
  • [(1R,2S,4aR,5S,8aS)-5-(chloromethyl)-5-hydroxy-1,2-dimethyl-4-oxo-1-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydronaphthalen-4a(2H)-yl]methyl rel-acetate
  • [(4R,4aS,7R,8S,8aR)-4-(chloromethyl)-4-hydroxy-7,8-dimethyl-5-oxo-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,6,7,8a-hexahydronaphthalen-4a-yl]methyl acetate
  • 2(5H)-furanone, 4-[2-[(1S,2R,4aS,5R,8aR)-4a-[(acetyloxy)methyl]-5-(chloromethyl)decahydro-5-hydroxy-1,2-dimethyl-4-oxo-1-naphthalenyl]ethyl]-
  • Acetic acid 5-chloromethyl-5-hydroxy-1,2-dimethyl-4-oxo-1-[2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-octahydro-naphthalen-4a-ylmethyl ester
  • InChI=1/C22H31ClO6/c1-14-9-18(25)22(13-29-15(2)24)17(5-4-7-21(22,27)12-23)20(14,3)8-6-16-10-19(26)28-11-16/h10,14,17,27H,4-9,11-13H2,1-3H3/t14-,17-,20+,21+,22+/m1/s