Cas no 110202-68-1 (Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-7,17,20,22-tetrahydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)- (9CI))

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-7,17,20,22-tetrahydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)- (9CI) structure
110202-68-1 structure
Product Name:Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-7,17,20,22-tetrahydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)- (9CI)
CAS No:110202-68-1
MF:C28H38O7
MW:486.59712934494
CID:182223
Update Time:2024-03-01

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-7,17,20,22-tetrahydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-7,17,20,22-tetrahydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)- (9CI)
    • 5,6-Epoxy-5H-cyclopenta[a]phenanthrene,ergosta-2,24-dien-26-oic acid deriv.
    • Withanolide Y
    • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-7,17,20,22-tetrahydroxy-1-oxo-, δ-lactone, (5α,6α,7α,22R)-
    • Inchi: 1S/C28H38O7/c1-14-13-19(34-23(31)15(14)2)26(5,32)28(33)12-9-16-20-17(8-11-24(16,28)3)25(4)18(29)7-6-10-27(25)22(35-27)21(20)30/h6-7,16-17,19-22,30,32-33H,8-13H2,1-5H3
    • InChI Key: JDXYJGMBBZUXJW-UHFFFAOYSA-N
    • SMILES: CC1CC(C(C2(C3(C(C4C(CC3)C3(C5(C(O5)C4O)CC=CC3=O)C)CC2)C)O)(O)C)OC(=O)C=1C

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.33±0.1 g/cm3(Predicted)
  • Boiling Point: 693.4±55.0 °C(Predicted)
  • PSA: 52.54
  • pka: 13.70±0.29(Predicted)
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