Cas no 97286-73-2 ([4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid)

[4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid structure
97286-73-2 structure
Product Name:[4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid
CAS No:97286-73-2
MF:C15H22O2
MW:234.333984851837
CID:1991078
Update Time:2024-03-01

[4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • [4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid
    • (-)-Sclerosporin
    • Inchi: 1S/C15H22O2/c1-9(2)11-6-7-13(15(16)17)12-5-4-10(3)8-14(11)12/h7-9,11-12,14H,4-6H2,1-3H3,(H,16,17)/t11-,12+,14-/m0/s1
    • InChI Key: WMNZIVZTRJKKHL-SCRDCRAPSA-N
    • SMILES: C(C1=CC[C@@H](C(C)C)[C@]2([H])C=C(C)CC[C@]12[H])(=O)O

Computed Properties

  • Exact Mass: 234.162
  • Monoisotopic Mass: 234.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 376
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2
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