Cas no 33169-07-2 (1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1a,4aa,10ab)]- (9CI))

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1a,4aa,10ab)]- (9CI) structure
33169-07-2 structure
Product Name:1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1a,4aa,10ab)]- (9CI)
CAS No:33169-07-2
MF:C17H22O3
MW:274.354785442352
CID:310657
PubChem ID:461839
Update Time:2025-04-19

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1a,4aa,10ab)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1a,4aa,10ab)]- (9CI)
    • (1S,4aS,10aR)-1,4a-dimethyl-6-oxo-3,4,7,8,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid
    • NSC 115715
    • NSC-115715
    • PODOCARPA-7,9(11)-DIEN-16-OIC ACID, 12-OXO-
    • NSC115715
    • 1,2,3,4,4A,6,7,8,10,10A-DECAHYDRO-1,4A-DIMETHYL-6-OXO-, (1S-(1.ALPHA.,4A.ALPHA.,10A.BETA.))-, 1-PHENANTHRENECARBOXYLIC ACID
    • 1,2,3,4,4a,6,7,8,10,10a-Decahydro-1,4a-dimethyl-6-oxo-, (1S-(1alpha,4aalpha,10abeta))-, 1-phenanthrenecarboxylic acid
    • 9Y0X3I7JHW
    • 33169-07-2
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, (1S-(1alpha,4aalpha,10abeta))-
    • UNII-9Y0X3I7JHW
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
    • Inchi： 1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h5,10,14H,3-4,6-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
    • InChI Key： GGTHDIPRPUXPMX-OIISXLGYSA-N
    • SMILES： OC([C@@]1(C)CCC[C@]2(C)C3=CC(CCC3=CC[C@H]21)=O)=O

Computed Properties

  • Exact Mass: 274.15696
  • Monoisotopic Mass: 274.156895
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 542
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.4
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.18
  • Boiling Point: 476.9°Cat760mmHg
  • Flash Point: 256.3°C
  • Refractive Index: 1.568
  • PSA: 54.37
  • LogP: 3.50310

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1a,4aa,10ab)]- (9CI) Related Literature

Related Categories

33169-07-2 (1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,6,7,8,10,10a-decahydro-1,4a-dimethyl-6-oxo-, [1S-(1a,4aa,10ab)]- (9CI)) Related Products

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