Cas no 226562-47-6 (Olean-12-ene-23,28-dioicacid, 3-hydroxy-, (3a,4a)- (9CI))

Olean-12-ene-23,28-dioicacid, 3-hydroxy-, (3a,4a)- (9CI) structure
226562-47-6 structure
Product Name:Olean-12-ene-23,28-dioicacid, 3-hydroxy-, (3a,4a)- (9CI)
CAS No:226562-47-6
MF:C30H46O5
MW:486.683249950409
CID:239030
PubChem ID:71307355
Update Time:2025-04-19

Olean-12-ene-23,28-dioicacid, 3-hydroxy-, (3a,4a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Olean-12-ene-23,28-dioicacid, 3-hydroxy-, (3a,4a)- (9CI)
    • 3a-Hydroxyolean-12-en-23,28-dioicacid
    • 3-HYDROXY-12-OLEANENE-23,28-DIOIC ACID
    • [ "" ]
    • (6AR,6BS,8AS,12AR,14AR,14BR)-3-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICENE-4,8A-DICARBOXYLIC ACID
    • Olean-12-ene-23,28-dioicacid,3-hydroxy-,(3a,4a)-(9ci)
    • 3-Hydroxy-12-oleanene-23,28-dioicacid
    • 226562-47-6
    • Inchi: 1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21?,22?,26-,27-,28-,29?,30+/m1/s1
    • InChI Key: PAIBKVQNJKUVCE-QPHRCCSXSA-N
    • SMILES: OC1CC[C@@]2(C)C(C1(C(=O)O)C)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: 272.08309
  • Monoisotopic Mass: 486.33452456g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 2
  • Complexity: 983
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.7
  • Topological Polar Surface Area: 94.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 619.2±55.0 °C at 760 mmHg
  • Flash Point: 342.3±28.0 °C
  • PSA: 52.54
  • LogP: 6.29830
  • Vapor Pressure: 0.0±4.1 mmHg at 25°C

Olean-12-ene-23,28-dioicacid, 3-hydroxy-, (3a,4a)- (9CI) Security Information

Olean-12-ene-23,28-dioicacid, 3-hydroxy-, (3a,4a)- (9CI) Pricemore >>

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