Cas no 113683-15-1 (Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)- (9CI))

Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)- (9CI) structure
113683-15-1 structure
Product Name:Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)- (9CI)
CAS No:113683-15-1
MF:C34H48O9
MW:600.739531517029
CID:176861
Update Time:2024-02-28

Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)- (9CI)
    • Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)...
    • Daturametelin A
    • (22R)-22-Hydroxy-1-oxo-27-(β-D-glucopyranosyloxy)ergosta-2,5,24-trien-26-oic acid δ-lactone
    • (22R)-27-(β-D-Glucopyranosyloxy)-22-hydroxy-1-oxoergosta-2,5,24-triene-26-oic acid δ-lactone
    • Ergosta-2,5,24-trien-26-oic acid, 27-(β-D-glucopyranosyloxy)-22-hydroxy-1-oxo-, δ-lactone, (22R)-
    • Inchi： 1S/C34H48O9/c1-17-14-25(42-31(40)21(17)16-41-32-30(39)29(38)28(37)26(15-35)43-32)18(2)22-10-11-23-20-9-8-19-6-5-7-27(36)34(19,4)24(20)12-13-33(22,23)3/h5,7-8,18,20,22-26,28-30,32,35,37-39H,6,9-16H2,1-4H3/t18-,20-,22+,23-,24-,25+,26+,28+,29-,30+,32+,33+,34-/m0/s1
    • InChI Key： BUUVUQOPURMCQD-CHTFRFAHSA-N
    • SMILES： O1C(C(C([H])([H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])=C(C([H])([H])[H])C([H])([H])[C@]1([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])C([H])=C([H])C([C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H])=O)=O

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.31±0.1 g/cm3(Predicted)
  • Boiling Point: 786.8±60.0 °C(Predicted)
  • PSA: 52.54
  • pka: 12.85±0.70(Predicted)

Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)- (9CI) Related Literature

Related Categories

113683-15-1 (Ergosta-2,5,24-trien-26-oicacid, 27-(b-D-glucopyranosyloxy)-22-hydroxy-1-oxo-,d-lactone, (22R)- (9CI)) Related Products

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