Cas no 10391-47-6 (Atractyligenin)

Atractyligenin structure
Atractyligenin structure
Product Name:Atractyligenin
CAS No:10391-47-6
MF:C19H28O4
MW:320.423226356506
CID:210591
PubChem ID:3034426
Update Time:2025-04-19

Atractyligenin Chemical and Physical Properties

Names and Identifiers

    • 19-Norkaur-16-en-18-oicacid, 2,15-dihydroxy-, (2b,4a,15a)-
    • AC1MHXHK
    • (2R,4R,4aR,7S,9S,11aS,11bR)-2,7-dihydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
    • (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid
    • 10391-47-6
    • 2,7-Dihydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
    • (4R,5R,7R,9R,10S,13S,15S)-7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
    • DTXSID90908667
    • EINECS 233-855-5
    • Atractyligenin
    • Inchi: 1S/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h11-16,20-21H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13+,14+,15-,16-,18+,19?/m0/s1
    • InChI Key: YRHWUYVCCPXYMB-YNGCLFHTSA-N
    • SMILES: O[C@H]1C(=C)[C@H]2CC[C@H]3[C@]4(C)C[C@@H](C[C@@H](C(=O)O)[C@H]4CCC31C2)O

Computed Properties

  • Exact Mass: 320.198759
  • Monoisotopic Mass: 320.198759
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 558
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.8
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.25
  • Boiling Point: 515.2°Cat760mmHg
  • Flash Point: 279.5°C
  • Refractive Index: 1.589

Atractyligenin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 150.00 2023-04-19
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$ 603.00 2023-04-19
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