Cas no 113579-08-1 (24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b,22b)-)

24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b,22b)- structure
113579-08-1 structure
Product Name:24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b,22b)-
CAS No:113579-08-1
MF:C30H38O6
MW:494.619129657745
CID:165765
PubChem ID:21579198
Update Time:2025-04-19

24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b,22b)- Chemical and Physical Properties

Names and Identifiers

    • 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b,22b)-
    • 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,
    • AKOS040753255
    • D:A-Friedo-24,26-dinoroleana-1(10),3,5,7,14-pentaen-29-oic acid, 3,21,22-trihydroxy-15-methyl-2-oxo-, methyl ester, (20alpha,21beta,22beta)-
    • methyl (2S,3R,4S,4aR,6aS,14aS,14bS)-3,4,10-trihydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate
    • 113579-08-1
    • Netzahualcoyondiol
    • 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oic acid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9beta,13alpha,20alpha,21beta,22beta)-
    • DTXSID90921119
    • methyl 3,4,10-trihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
    • Inchi： 1S/C30H38O6/c1-15-13-29(5)21(14-30(6,26(35)36-7)25(34)24(29)33)28(4)11-10-27(3)18(22(15)28)9-8-17-16(2)23(32)20(31)12-19(17)27/h8-9,12,21,24-25,32-34H,10-11,13-14H2,1-7H3/t21-,24+,25-,27+,28-,29+,30-/m0/s1
    • InChI Key： APGPWXZLGUDEGW-BTAXULIISA-N
    • SMILES： O[C@@H]1[C@@H]([C@](C(=O)OC)(C)C[C@H]2[C@]3(C)CC[C@@]4(C)C5=CC(C(=C(C)C5=CC=C4C3=C(C)C[C@]21C)O)=O)O

Computed Properties

  • Exact Mass: 494.26694
  • Monoisotopic Mass: 494.26683893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 2
  • Complexity: 1250
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 104.06

24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b,22b)- Related Literature

Related Categories

113579-08-1 (24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21,22-trihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b,22b)-) Related Products

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