Cas no 466-01-3 (Olean-12-en-28-oicacid, 23-hydroxy-3-oxo-, (4a)-)

Olean-12-en-28-oicacid, 23-hydroxy-3-oxo-, (4a)- structure
466-01-3 structure
Product Name:Olean-12-en-28-oicacid, 23-hydroxy-3-oxo-, (4a)-
CAS No:466-01-3
MF:C30H46O4
MW:470.683849811554
CID:332990
PubChem ID:12310388
Update Time:2025-04-19

Olean-12-en-28-oicacid, 23-hydroxy-3-oxo-, (4a)- Chemical and Physical Properties

Names and Identifiers

    • Olean-12-en-28-oicacid, 23-hydroxy-3-oxo-, (4a)-
    • Hederagonic acid
    • Olean-12-en-28-oicacid, 23-hydroxy-3-oxo- (8CI)
    • 23-Hydroxy-3-oxoolean-12-en-28-oic acid
    • [ "23-Hydroxy-3-oxoolean-12-en-28-oic acid" ]
    • CS-0024580
    • CHEMBL1797141
    • BDBM50346614
    • AKOS040761820
    • HY-N4064
    • Olean-12-en-28-oic acid, 23-hydroxy-3-oxo- (8CI); (4)-23-Hydroxy-3-oxoolean-12-en-28-oic acid
    • (4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
    • 466-01-3
    • FS-9902
    • SCHEMBL16175644
    • B0005-189679
    • DA-60072
    • Inchi： 1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,26-,27-,28+,29+,30-/m0/s1
    • InChI Key： WCXZTKJFWJFMJG-AOIBKUJJSA-N
    • SMILES： O=C1CC[C@@]2(C)[C@H]([C@]1(C)CO)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12

Computed Properties

  • Exact Mass: 470.34000
  • Monoisotopic Mass: 470.33960994g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 2
  • Complexity: 950
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 587.9±50.0 °C at 760 mmHg
  • Flash Point: 323.4±26.6 °C
  • PSA: 74.60000
  • LogP: 6.41420
  • Vapor Pressure: 0.0±3.7 mmHg at 25°C

Olean-12-en-28-oicacid, 23-hydroxy-3-oxo-, (4a)- Security Information

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