Cas no 31298-06-3 (Arjunic acid)

Arjunic acid structure
Arjunic acid structure
Product Name:Arjunic acid
CAS No:31298-06-3
MF:C30H48O5
MW:488.699130058289
MDL:MFCD12031625
CID:53730
PubChem ID:329748225
Update Time:2025-04-18

Arjunic acid Chemical and Physical Properties

Names and Identifiers

    • Arjunic acid
    • 2α,3β,19α-Trihydroxyolean-12-en-28-oic acid
    • (2α,3β,19α)-2,3,19-Trihydroxyolean-12-en-28-oic acid
    • Arjuntriterpenic acid
    • [ "" ]
    • HY-N2895
    • 31298-06-3
    • CHEMBL515705
    • SCHEMBL564517
    • Arjunic acid, analytical standard
    • FS-9744
    • (2,3,19)-2,3,19-Trihydroxyolean-12-en-28-oic acid; Arjunic acid
    • (1S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • AKOS040758556
    • CS-0023480
    • NS00097292
    • Olean-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta,19alpha)-
    • DTXSID20911583
    • AKOS015896750
    • (4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • 11032-62-5
    • 2,3,25-Trihydroxyolean-12-en-28-oic acid
    • CHEBI:181308
    • 1,10,11-Trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • SCHEMBL13632108
    • ConMedNP.2467
    • 2?,3?,19?-Trihydroxyolean 12-ene 28-oic acid
    • DA-61212
    • Arjunate
    • GBA29806
    • MDL: MFCD12031625
    • Inchi: 1S/C30H48O5/c1-25(2)12-14-30(24(34)35)15-13-28(6)17(21(30)23(25)33)8-9-20-27(5)16-18(31)22(32)26(3,4)19(27)10-11-29(20,28)7/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19+,20-,21-,22+,23+,27+,28-,29-,30+/m1/s1
    • InChI Key: XJMYUPJDAFKICJ-YZTGESMESA-N
    • SMILES: O[C@H]1[C@@H](C[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)[C@H]([C@H]4C3=CC[C@@H]12)O)O

Computed Properties

  • Exact Mass: 488.35000
  • Monoisotopic Mass: 488.35017463g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 1
  • Complexity: 952
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 98?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 602.7±55.0 °C at 760 mmHg
  • Flash Point: 332.3±28.0 °C
  • PSA: 97.99000
  • LogP: 5.17520
  • Vapor Pressure: 0.0±3.9 mmHg at 25°C

Arjunic acid Security Information

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