Cas no 26260-20-8 (19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI))

19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI) structure
26260-20-8 structure
Product Name:19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)
CAS No:26260-20-8
MF:C34H46O9
MW:598.723651409149
CID:270942
PubChem ID:6445270
Update Time:2025-04-19

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

Names and Identifiers

    • (10α,23E)-2,16α-Diacetoxy-20,25-dihydroxy-9β-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
    • [(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-2,6-dihydroxy-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] acetate
    • 19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)
    • BRN 3191081
    • 26260-20-8
    • 2,16-Diacetylcucurbitacine(1)
    • 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-, 2,16-diacetate
    • Diacetyl-2,16 cucurbitacine (I)
    • Inchi： 1S/C34H46O9/c1-18(35)42-22-15-21-20(30(5,6)28(22)39)11-12-24-31(7)16-23(43-19(2)36)27(32(31,8)17-26(38)33(21,24)9)34(10,41)25(37)13-14-29(3,4)40/h11,13-15,21,23-24,27,40-41H,12,16-17H2,1-10H3/b14-13+/t21-,23-,24+,27+,31+,32-,33+,34+/m1/s1
    • InChI Key： ZOAMDCABMCQPSO-GDJGQKLVSA-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)O)=O)(C)O)=O)OC(C)=O)=O

Computed Properties

  • Exact Mass: 598.314183
  • Monoisotopic Mass: 598.314183
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 8
  • Complexity: 1380
  • 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: 144
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.23
  • Boiling Point: 720.4°C at 760 mmHg
  • Flash Point: 222.2°C
  • Refractive Index: 1.565

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

26260-20-8 (19-Norlanosta-1,5,23-triene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)) Related Products

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