Cas no 5356-59-2 (Olean-12-en-29-oic acid, 11-oxo-3-[(1-oxododecyl)oxy]-, (3β,20β)-)

Olean-12-en-29-oic acid, 11-oxo-3-[(1-oxododecyl)oxy]-, (3β,20β)- structure
5356-59-2 structure
Product Name:Olean-12-en-29-oic acid, 11-oxo-3-[(1-oxododecyl)oxy]-, (3β,20β)-
CAS No:5356-59-2
MF:C42H68O5
MW:652.986333847046
CID:1583880
PubChem ID:6452851
Update Time:2024-03-01

Olean-12-en-29-oic acid, 11-oxo-3-[(1-oxododecyl)oxy]-, (3β,20β)- Chemical and Physical Properties

Names and Identifiers

    • (3beta,5xi,18alpha)-3-(dodecanoyloxy)-11-oxoolean-12-en-29-oic acid
    • 9-(phenylmethoxymethyl)carbazole
    • Olean-12-en-29-oic acid, 11-oxo-3-[(1-oxododecyl)oxy]-, (3β,20β)-
    • BX 24
    • BX24
    • BX-24
    • Lauroylglycyrrhetinic acid
    • Inchi: 1S/C42H68O5/c1-9-10-11-12-13-14-15-16-17-18-34(44)47-33-20-21-40(6)32(37(33,2)3)19-22-42(8)35(40)31(43)27-29-30-28-39(5,36(45)46)24-23-38(30,4)25-26-41(29,42)7/h27,30,32-33,35H,9-26,28H2,1-8H3,(H,45,46)/t30-,32?,33+,35-,38-,39-,40+,41-,42-/m1/s1
    • InChI Key: HZEWCBIUKQQPIY-KEQQWINQSA-N
    • SMILES: O(C(CCCCCCCCCCC)=O)[C@H]1CC[C@@]2(C)C(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@](C(=O)O)(C)C[C@@H]5C4=CC([C@@H]32)=O)C1(C)C

Computed Properties

  • Exact Mass: 652.506675
  • Monoisotopic Mass: 652.506675
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 13
  • Complexity: 1230
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.7
  • XLogP3: 12.2

Experimental Properties

  • Density: 1.07
  • Boiling Point: 697.4°C at 760 mmHg
  • Flash Point: 198.2°C
  • Refractive Index: 1.534

Olean-12-en-29-oic acid, 11-oxo-3-[(1-oxododecyl)oxy]-, (3β,20β)- Pricemore >>

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