Cas no 119626-74-3 (19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,16a,23E)-)

19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,16a,23E)- structure
119626-74-3 structure
Product Name:19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,16a,23E)-
CAS No:119626-74-3
MF:C39H56O12
MW:716.854753494263
CID:172204
PubChem ID:5281325
Update Time:2025-04-19

19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,16a,23E)- Chemical and Physical Properties

Names and Identifiers

    • 19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,16a,23E)-
    • [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]ph
    • 19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,1
    • Q27108322
    • Spinoside A
    • [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate
    • 119626-74-3
    • DTXSID90415104
    • CHEBI:9229
    • C08809
    • (-)-Spinoside A
    • Inchi： 1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1
    • InChI Key： UODJOGKPOAZZHT-OCCINUARSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@H](CO1)OC(C)=O)O)OC(C)=O)[C@@H]1C[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(C(=C[C@H]4[C@]3(C)CC[C@]2(C)[C@H]1[C@@](C(/C=C/C(C)(C)O)=O)(C)O)O)=O

Computed Properties

  • Exact Mass: 716.377177
  • Monoisotopic Mass: 716.377177
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 51
  • Rotatable Bond Count: 10
  • Complexity: 1560
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 186
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.28
  • Boiling Point: 817.1°Cat760mmHg
  • Flash Point: 243.7°C
  • Refractive Index: 1.579

19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,16a,23E)- Related Literature

119626-74-3 (19-Norlanosta-1,5,23-triene-3,22-dione,16-[(2,4-di-O-acetyl-a-L-arabinopyranosyl)oxy]-2,20,25-trihydroxy-9-methyl-, (9b,10a,16a,23E)-) Related Products

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