Cas no 113558-03-5 (Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)-)

Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1β,2α,3β)-, is a pentacyclic triterpenoid derivative with a well-defined stereochemical configuration. This compound exhibits a hydroxylated ursane skeleton, which contributes to its potential bioactivity and solubility profile. The presence of multiple hydroxyl groups at the 1, 2, 3, and 19 positions enhances its polarity, making it suitable for applications requiring aqueous compatibility. Its structural features are of interest in pharmacological research, particularly for studying anti-inflammatory, hepatoprotective, or antimicrobial properties. The compound's high purity and characterized stereochemistry ensure reproducibility in experimental settings, supporting its use as a reference standard or intermediate in synthetic chemistry.
Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)- structure
113558-03-5 structure
Product Name:Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)-
CAS No:113558-03-5
MF:C30H48O6
MW:504.698530197144
CID:837102
PubChem ID:69624177
Update Time:2025-06-06

Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)- Chemical and Physical Properties

Names and Identifiers

    • Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)-
    • 1,2,3,19-Tetrahydroxy-12-ursen-2
    • 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid
    • (1beta,2alpha,3beta)-1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid
    • [ "" ]
    • MS-29379
    • PD197572
    • AKOS032961748
    • Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1beta,2alpha,3beta)-
    • 113558-03-5
    • F92863
    • CHEMBL5182295
    • SCHEMBL5970815
    • (1R,2R,4aS,6aS,6aS,6bR,8aS,10R,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • MDL： MFCD28144867
    • Inchi： 1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
    • InChI Key： VULLSLYDWNGNKZ-VVEUJWIUSA-N
    • SMILES： O[C@@H]1[C@H]([C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@@H](C)[C@](C)([C@H]5C4=CC[C@@H]3[C@]21C)O)O)O

Computed Properties

  • Exact Mass: 504.34500
  • Monoisotopic Mass: 504.34508925g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 1
  • Complexity: 990
  • 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
  • XLogP3: 4
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 619.1±55.0 °C at 760 mmHg
  • Flash Point: 342.2±28.0 °C
  • PSA: 118.22000
  • LogP: 4.14600
  • Vapor Pressure: 0.0±4.1 mmHg at 25°C

Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)- Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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A2B Chem LLC
AA11431-1mg
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A2B Chem LLC
AA11431-5mg
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MedChemExpress
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Key Organics Ltd
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Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)- Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:113558-03-5)Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)-
Order Number:A894346
Stock Status:in Stock
Quantity:1mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:47
Price ($):1128.0

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Amadis Chemical Company Limited
(CAS:113558-03-5)Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1b,2a,3b)-
A894346
Purity:99%
Quantity:1mg
Price ($):1128.0
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