Cas no 20408-52-0 (5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid)

5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid structure
20408-52-0 structure
Product Name:5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid
CAS No:20408-52-0
MF:C22H30O4
MW:358.471207141876
CID:1393653
PubChem ID:3084339
Update Time:2025-04-20

5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid
    • 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid
    • cannabichromenic acid
    • (+/-)-CANNABICHROMENIC ACID A
    • (+)-Cannabichromenic acid
    • GHH6KX8TQS
    • Cannabichromenic acid, (+)-
    • SCHEMBL9909325
    • 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (+)-
    • CHEMBL4594109
    • (+/-)-CANNABICHROMENIC ACID
    • 5-Hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acid
    • CANNABICHROMENIC ACID, (+/-)-
    • UNII-GHH6KX8TQS
    • DTXSID301336859
    • Q27284972
    • 5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acid
    • 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-
    • CBCA
    • (+-)-Cannabichromenic acid
    • 20408-52-0
    • 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-
    • (+)-5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-2H-1-BENZOPYRAN-6-CARBOXYLIC ACID
    • 2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-, (+)-
    • CHEBI:167557
    • 185505-15-1
    • NS00094551
    • NNW8UMP980
    • BC175206
    • FS-7318
    • UNII-NNW8UMP980
    • Inchi: 1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)
    • InChI Key: HRHJHXJQMNWQTF-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C(C(=O)O)=C(C=2C=CC1(C)CC/C=C(\C)/C)O)CCCCC

Computed Properties

  • Exact Mass: 358.2145
  • Monoisotopic Mass: 358.21440943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 534
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.9
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76

5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid Related Literature

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