Cas no 13742-23-9 (1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,10aR)-)

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,10aR)- structure
13742-23-9 structure
Product Name:1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,10aR)-
CAS No:13742-23-9
MF:C21H30O3
MW:330.461106777191
CID:222174
PubChem ID:241939
Update Time:2025-04-19

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,10aR)- Chemical and Physical Properties

Names and Identifiers

    • 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,10aR)-
    • 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,
    • methyl 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
    • 12-hydroxy-abieta-8,11,13-trien-18-oic acid methyl ester
    • 12-hydroxy-abietan-8,11,13-triene-19-oate
    • 12-hydroxyabietic-8,11,13-trien-18-oic acid methyl ester
    • 12-hydroxydehydroabietate
    • AC1L68G2
    • AC1Q5ZMH
    • AGN-PC-000KN3
    • AR-1J4291
    • methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate
    • methyl 12-hydroxyabieta-8,11,13-trien-18-oate
    • methyl 12-hydroxyabietan-8,11,13-trien-18-oate
    • methyl 12-hydroxydehydroabietate
    • NSC146206
    • NSC49888
    • 13742-23-9
    • NSC294541
    • 55803-83-3
    • NSC-146206
    • NSC-49888
    • NSC-294541
    • DTXSID80287251
    • Inchi： 1S/C21H30O3/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22)9-6-10-21(18,4)19(23)24-5/h11-13,18,22H,6-10H2,1-5H3
    • InChI Key： LLPVUJKHELUZHR-UHFFFAOYSA-N
    • SMILES： O(C)C(C1(C)CCCC2(C)C3C=C(C(C(C)C)=CC=3CCC21)O)=O

Computed Properties

  • Exact Mass: 330.2196
  • Monoisotopic Mass: 330.219
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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 : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.074g/cm3
  • Boiling Point: 431.1oC at 760 mmHg
  • Flash Point: 167oC
  • Refractive Index: 1.535
  • PSA: 46.53
  • LogP: 4.69890

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,10aR)- Related Literature

Related Categories

13742-23-9 (1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aS,10aR)-) Related Products

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