Cas no 32451-85-7 (20(29)-Lupene-3,23-diol)

20(29)-Lupene-3,23-diol is a lupane-type triterpenoid characterized by its hydroxyl groups at the C-3 and C-23 positions, along with a double bond at C-20(29). This compound is of interest due to its structural similarity to bioactive triterpenes, which exhibit potential pharmacological properties, including anti-inflammatory and antioxidant activities. Its well-defined molecular framework makes it a valuable intermediate for synthetic modifications in medicinal chemistry research. The presence of multiple functional groups allows for selective derivatization, enabling the exploration of structure-activity relationships. High purity and stability under standard conditions further enhance its utility in laboratory applications.
20(29)-Lupene-3,23-diol structure
20(29)-Lupene-3,23-diol structure
Product Name:20(29)-Lupene-3,23-diol
CAS No:32451-85-7
MF:C30H50O2
MW:442.7168
CID:836972
PubChem ID:21672675
Update Time:2025-10-29

20(29)-Lupene-3,23-diol Chemical and Physical Properties

Names and Identifiers

    • 20(29)-Lupene-3,23-diol
    • Lup-20(29)-ene-3α,23-diol
    • Lup-20(29)-ene-3beta,23-diol
    • Lup-20(29)-Ene-3bate,23-Diol
    • B0005-179070
    • 8-(hydroxymethyl)-3a,5a,5b,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]chrysen-9-ol
    • 163060-07-9
    • (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-3a,5a,5b,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]chrysen-9-ol
    • Lup-20(29)-ene-3alpha,23-diol
    • Lup-20(29)-ene-3,23-diol
    • A875621
    • 32451-85-7
    • FS-9753
    • (1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-3a,5a,5b,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]chrysen-9-ol
    • AKOS032961637
    • [ "" ]
    • Inchi: InChI=1S/C30H50O2/c1-19(2)20-10-13-26(3)16-17-29(6)21(25(20)26)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+/m0/s1
    • InChI Key: RFCPTXGFYWKJJB-UHFFFAOYSA-N
    • SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)C

Computed Properties

  • Exact Mass: 442.38100
  • Monoisotopic Mass: 442.381080833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 2
  • Complexity: 790
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.2
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 529.1±23.0 °C at 760 mmHg
  • Flash Point: 214.4±17.2 °C
  • PSA: 40.46000
  • LogP: 6.99720
  • Vapor Pressure: 0.0±3.2 mmHg at 25°C

20(29)-Lupene-3,23-diol Security Information

20(29)-Lupene-3,23-diol Pricemore >>

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