Cas no 26906-52-5 (1-Phenanthrenecarboxylicacid, tetradecahydro-6-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)-)

1-Phenanthrenecarboxylicacid, tetradecahydro-6-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)- structure
26906-52-5 structure
Product Name:1-Phenanthrenecarboxylicacid, tetradecahydro-6-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)-
CAS No:26906-52-5
MF:C21H36O3
MW:336.50874710083
CID:290646
PubChem ID:294337
Update Time:2025-04-19

1-Phenanthrenecarboxylicacid, tetradecahydro-6-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Phenanthrenecarboxylicacid, tetradecahydro-6-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)-
    • 6-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
    • 12-(hydroxymethyl)abietan-18-oic acid
    • 12-Hydroxymethylabietan-18-carbonsaeure
    • AC1L6LRD
    • AC1Q5UY6
    • AG-K-22249
    • AR-1C0592
    • CTK1A7807
    • NSC162408
    • Podocarpan-15-oicacid, 12-(hydroxymethyl)-13-isopropyl- (8CI)
    • DTXSID80303829
    • 26906-52-5
    • NSC-162408
    • Inchi： 1S/C21H36O3/c1-13(2)16-10-14-6-7-18-20(3,17(14)11-15(16)12-22)8-5-9-21(18,4)19(23)24/h13-18,22H,5-12H2,1-4H3,(H,23,24)
    • InChI Key： KZSCUPZZIHOXHT-UHFFFAOYSA-N
    • SMILES： OCC1C(C(C)C)CC2CCC3C(C(=O)O)(C)CCCC3(C)C2C1

Computed Properties

  • Exact Mass: 336.26658
  • Monoisotopic Mass: 336.266
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 488
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.03
  • Boiling Point: 461.9°Cat760mmHg
  • Flash Point: 247.3°C
  • Refractive Index: 1.5
  • PSA: 57.53
  • LogP: 4.58440

1-Phenanthrenecarboxylicacid, tetradecahydro-6-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)- Related Literature

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