Cas no 26321-61-9 (19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI))

19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI) structure
26321-61-9 structure
Product Name:19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)
CAS No:26321-61-9
MF:C36H48O10
MW:640.760332107544
CID:255340
PubChem ID:6445271
Update Time:2025-04-19

19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)
    • (10α,23E)-2,16α,25-Triacetoxy-20-hydroxy-9β-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
    • [(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-16-yl]
    • 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16-alpha,20,25-tetrahydroxy-, 2,16-alpha,25-triacetate
    • 3-08-00-04378 (Beilstein Handbook Reference)
    • 26321-61-9
    • Diacetyl-2,16 cucurbitacine (E)
    • BRN 3193315
    • Inchi： 1S/C36H48O10/c1-19(37)44-24-16-23-22(32(6,7)30(24)42)12-13-26-33(8)17-25(45-20(2)38)29(34(33,9)18-28(41)35(23,26)10)36(11,43)27(40)14-15-31(4,5)46-21(3)39/h12,14-16,23,25-26,29,43H,13,17-18H2,1-11H3/b15-14+/t23-,25-,26+,29+,33+,34-,35+,36+/m1/s1
    • InChI Key： QIEJMVVHVJMCHQ-PKSWVVKOSA-N
    • SMILES： O(C(C)=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(/C=C/C(C)(C)OC(C)=O)=O)(C)O)=O)OC(C)=O)=O

Computed Properties

  • Exact Mass: 640.324748
  • Monoisotopic Mass: 640.324748
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 10
  • Complexity: 1500
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 150
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.23
  • Boiling Point: 735.9°C at 760 mmHg
  • Flash Point: 222.9°C
  • Refractive Index: 1.555

19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI) Related Literature

26321-61-9 (19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)) Related Products

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