Cas no 214150-74-0 (1-Decarboxy-3-oxo-ceanothic-acid)

1-Decarboxy-3-oxo-ceanothic-acid structure
214150-74-0 structure
Product Name:1-Decarboxy-3-oxo-ceanothic-acid
CAS No:214150-74-0
MF:C29H44O3
MW:440.657869338989
CID:837017
PubChem ID:23243541
Update Time:2025-04-19

1-Decarboxy-3-oxo-ceanothic-acid Chemical and Physical Properties

Names and Identifiers

    • 1-Decarboxy-3-oxo-ceanothic-acid
    • 1-Decarboxy-3-oxo-ceathic acid
    • 1-Norbetulonic acid
    • (1R,3aS,5aR,5bR,7aR,10aR,10bR,12aR,12bR)-1-Isopropenyl-5a,5b,8,8, 10a-pentamethyl-9-oxooctadecahydrodicyclopenta[a,i]phenanthrene-3 a(1H)-carboxylic acid
    • 1-DECARBOXY-3-OXOCEANOTHIC ACID
    • 1-Decarboxy-3-oxo-ceanothic acid
    • [ "1-Decarboxy-3-oxo-ceanothic acid" ]
    • CS-0017300
    • HY-N1639
    • AKOS040760880
    • CHEMBL487506
    • FS-9566
    • (1R,2R,5S,8R,9R,10R,13R,14R,18R)-1,2,14,17,17-pentamethyl-16-oxo-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
    • SCHEMBL21435925
    • 214150-74-0
    • 3'H-Cyclopent[3,4]androst-3-en-18-oic acid, tetrahydro-4,5',5',9-tetramethyl-15-(1-methylethenyl)-4'-oxo-, (3beta,4alpha,5beta,8alpha,9beta,10alpha,13alpha,14beta,15beta)-
    • Inchi: 1S/C29H44O3/c1-17(2)18-10-13-29(24(31)32)15-14-27(6)19(23(18)29)8-9-21-26(5)16-22(30)25(3,4)20(26)11-12-28(21,27)7/h18-21,23H,1,8-16H2,2-7H3,(H,31,32)/t18-,19+,20-,21+,23+,26-,27+,28+,29-/m0/s1
    • InChI Key: NUDCZUBEFGYVSS-RSICVRGJSA-N
    • SMILES: O=C1C[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(=C)C)CC[C@]3(C(=O)O)CC[C@@]12C

Computed Properties

  • Exact Mass: 440.32900
  • Monoisotopic Mass: 440.32904526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 2
  • Complexity: 887
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.5
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 535.4±50.0 °C at 760 mmHg
  • Flash Point: 291.7±26.6 °C
  • PSA: 54.37000
  • LogP: 6.90760
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

1-Decarboxy-3-oxo-ceanothic-acid Security Information

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A2B Chem LLC
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