Cas no 1110-02-7 (19-Norlanosta-1,5-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (9b,10a,16a)-)

19-Norlanosta-1,5-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (9b,10a,16a)- structure
1110-02-7 structure
Product Name:19-Norlanosta-1,5-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (9b,10a,16a)-
CAS No:1110-02-7
MF:C30H44O7
MW:516.666170120239
CID:158398
PubChem ID:441820
Update Time:2025-04-19

19-Norlanosta-1,5-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (9b,10a,16a)- Chemical and Physical Properties

Names and Identifiers

    • 19-Norlanosta-1,5-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (9b,10a,16a)-
    • Cucurbitacin L
    • (8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
    • NSC-112167
    • Isocucurbitacin L
    • Dihydroelatericin B
    • Dihydrocucurbitacin I
    • (9β,10α)-2,16α,20,25-Tetrahydroxy-9-methyl-19-norlanosta-1,5-diene-3,11,22-trione
    • SCHEMBL4957672
    • CHEMBL4753806
    • 19-Nor-9beta,10alpha-lanosta-1,5-diene-3,11,22-trione, 2,16alpha,20,25-tetrahydroxy-9-methyl-
    • 1110-02-7
    • C08802
    • CHEBI:3949
    • DTXSID80149441
    • Q27106267
    • NS00094793
    • LMST01010112
    • Inchi： 1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,13,17,19-20,23,31-32,36-37H,10-12,14-15H2,1-8H3/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
    • InChI Key： PIGAXYFCLPQWOD-ILFSFOJUSA-N
    • SMILES： O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(C(=C[C@H]4[C@]3(C)C(C[C@]2(C)[C@H]1[C@@](C(CCC(C)(C)O)=O)(C)O)=O)O)=O

Computed Properties

  • Exact Mass: 516.309
  • Monoisotopic Mass: 516.309
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 5
  • Complexity: 1120
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 68
  • XLogP3: 2.7
  • Topological Polar Surface Area: 132A^2

Experimental Properties

  • Density: 1.24
  • Boiling Point: 696.7°Cat760mmHg
  • Flash Point: 389.1°C
  • Refractive Index: 1.582

19-Norlanosta-1,5-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (9b,10a,16a)- Related Literature

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