Cas no 198014-94-7 (Lup-20(29)-en-27-oic acid, 3-hydroxy-, (3a)-)

Lup-20(29)-en-27-oic acid, 3-hydroxy-, (3a)- structure
198014-94-7 structure
Product Name:Lup-20(29)-en-27-oic acid, 3-hydroxy-, (3a)-
CAS No:198014-94-7
MF:C30H48O3
MW:456.700329780579
CID:837723
PubChem ID:71312547
Update Time:2025-04-19

Lup-20(29)-en-27-oic acid, 3-hydroxy-, (3a)- Chemical and Physical Properties

Names and Identifiers

    • Lup-20(29)-en-27-oic acid, 3-hydroxy-, (3a)-
    • (1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
    • Bacosine
    • BACOSINE(P)
    • A)-3-Hydroxylup-20(29)-en-27-oic acid
    • (3alpha)-3-Hydroxylup-20(29)-en-27-oic acid
    • Bacosin
    • (3α)-3-Hydroxylup-20(29)-en-27-oic acid
    • AC-35136
    • 198014-94-7
    • Bacosine, analytical standard
    • DTXSID60746871
    • AKOS024462645
    • Inchi： 1S/C30H48O3/c1-18(2)19-10-13-27(5)16-17-30(25(32)33)20(24(19)27)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24+,27+,28-,29+,30+/m0/s1
    • InChI Key： CLOUCVRNYSHRCF-CHVGUTEKSA-N
    • SMILES： OC([C@@]12CC[C@@]3(C)CC[C@@H](C(=C)C)[C@@H]3[C@H]1CC[C@@H]1[C@@]3(C)CC[C@H](C(C)(C)[C@@H]3CC[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 456.36000
  • Monoisotopic Mass: 456.36034539g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 2
  • Complexity: 861
  • 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: 8.4
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.065
  • PSA: 57.53000
  • LogP: 7.08950

Lup-20(29)-en-27-oic acid, 3-hydroxy-, (3a)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChromaDex Standards
ASB-00002012-005-5mg
BACOSINE
 198014-94-7 95.4%
5mg
 $227.00 2023-10-25
ChromaDex Standards
ASB-00002012-010-10mg
BACOSINE
 198014-94-7 95.4%
10mg
 $460.00 2023-10-25

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