Cas no 143839-02-5 (Urs-12-en-28-oic acid,2,3,23-trihydroxy-, (2a,3b,4b)-)

Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3β,4β)-, is a triterpenoid compound with a well-defined stereochemistry, characterized by hydroxyl groups at the 2, 3, and 23 positions. Its structural features contribute to its potential bioactivity, including anti-inflammatory, hepatoprotective, and antioxidant properties. The compound's rigid pentacyclic framework and hydroxylation pattern enhance its solubility and interaction with biological targets, making it valuable for pharmaceutical and biochemical research. High purity and well-characterized stereochemistry ensure reproducibility in studies involving metabolic pathways or receptor binding. Its derivatives are of interest in drug development due to their ability to modulate enzyme activity and cellular signaling. Suitable for use as a reference standard or intermediate in synthetic applications.
Urs-12-en-28-oic acid,2,3,23-trihydroxy-, (2a,3b,4b)- structure
143839-02-5 structure
Product Name:Urs-12-en-28-oic acid,2,3,23-trihydroxy-, (2a,3b,4b)-
CAS No:143839-02-5
MF:C30H48O5
MW:488.699130058289
CID:98009
PubChem ID:73554050
Update Time:2025-06-07

Urs-12-en-28-oic acid,2,3,23-trihydroxy-, (2a,3b,4b)- Chemical and Physical Properties

Names and Identifiers

    • Urs-12-en-28-oic acid,2,3,23-trihydroxy-, (2a,3b,4b)-
    • 2,24-Dihydroxyursolic acid
    • 2Α,24-DIHYDROXYURSOLIC ACID
    • 2a,3b,24-Trihydroxyurs-12-en-28-oic acid
    • [ "2", "3", "24-Trihydroxy-12-ursen-28-oic acid" ]
    • 2alpha,24-Dihydroxyursolic acid
    • AKOS022184601
    • 143839-02-5
    • (1S,2R,4aS,6aR,6aS,6bR,10R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
    • CID 73554050
    • 2
    • SCHEMBL5799474
    • FS-10358
    • 2??,24-Dihydroxyursolic acid
    • AKOS040735822
    • 2alpha,3beta,24-trihydroxyurs-12-en-28-oic acid
    • Inchi： 1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20?,21?,22-,23+,24+,26+,27?,28-,29-,30+/m1/s1
    • InChI Key： JXSVIVRDWWRQRT-MRWSKXGLSA-N
    • SMILES： O[C@H]1C(C[C@@]2(C)C(C1(C)CO)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C3=CC[C@@H]12)O

Computed Properties

  • Exact Mass: 488.35000
  • Monoisotopic Mass: 488.35
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 2
  • Complexity: 930
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98A^2
  • XLogP3: 5.7

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 609.4±55.0 °C at 760 mmHg
  • Flash Point: 336.4±28.0 °C
  • PSA: 97.99000
  • LogP: 5.03270
  • Vapor Pressure: 0.0±4.0 mmHg at 25°C

Urs-12-en-28-oic acid,2,3,23-trihydroxy-, (2a,3b,4b)- Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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