Cas no 29455-26-3 ((1R,4aS,5R,8aS)-5-[(R)-3-Methyl-4-carboxybutyl]-1,4a-dimethyl-6-methylenedecalin-1-carboxylic acid)

(1R,4aS,5R,8aS)-5-[(R)-3-Methyl-4-carboxybutyl]-1,4a-dimethyl-6-methylenedecalin-1-carboxylic acid structure
29455-26-3 structure
Product Name:(1R,4aS,5R,8aS)-5-[(R)-3-Methyl-4-carboxybutyl]-1,4a-dimethyl-6-methylenedecalin-1-carboxylic acid
CAS No:29455-26-3
MF:C20H32O4
MW:336.465686798096
CID:275161
Update Time:2024-02-29

(1R,4aS,5R,8aS)-5-[(R)-3-Methyl-4-carboxybutyl]-1,4a-dimethyl-6-methylenedecalin-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (bR,1R,4aS,5R,8aS)-
    • 1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, [1R-[1a(R*),4ab,5a,8aa]]-
    • 5b,9bH,10a-Labd-8(20)-ene-15,18-dioic acid, (13R)- (8CI)
    • Oliveric acid
    • CID 101306760
    • (1R,4aS,5R,8aS)-5-[(R)-3-Methyl-4-carboxybutyl]-1,4a-dimethyl-6-methylenedecalin-1-carboxylic acid
    • (1R,βR,4aβ)-Decahydro-5α-carboxy-β,5,8aα-trimethyl-2-methylene-1α-naphthalenepentanoic acid
    • Junicedric acid
    • Inchi: 1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)
    • InChI Key: HPQKNJHVWUWAOR-UHFFFAOYSA-N
    • SMILES: CC(CC(=O)O)CCC1C2(CCCC(C2CCC1=C)(C(=O)O)C)C

Computed Properties

  • Exact Mass: 336.23
  • Monoisotopic Mass: 336.23
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 526
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 74.6
  • XLogP3: 5.459
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