Cas no 21902-99-8 (Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-)

Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- structure
21902-99-8 structure
Product Name:Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
CAS No:21902-99-8
MF:C30H40O7
MW:512.63440990448
CID:263330
PubChem ID:54606507
Update Time:2025-04-19

Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- Chemical and Physical Properties

Names and Identifiers

    • Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
    • (22R)-18-Acetoxy-5,6β-epoxy-4β,22-dihydroxy-1-oxo-5β-ergosta-2,24-dien-26-oic acid δ-lactone
    • 5,6-Epoxy-5H-cyclopenta[a]phenanthrene, ergosta-2,24-dien-26-oic acidderiv.
    • 5b-Ergosta-2,24-dien-26-oic acid,5,6b-epoxy-4b,18,22-trihydroxy-1-oxo-, d-lactone, 18-acetate, (20S,22R)-(8CI)
    • Withacnistin
    • NSC-135073
    • 21902-99-8
    • 5.beta.-Ergosta-2, 5,6.beta.-epoxy-4.beta.,18,22-trihydroxy-1-oxo-, .delta.-lactone, 18-acetate, (20S,22R)-
    • Ergosta-2, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.22R)-
    • DTXSID90714301
    • (4beta,5beta,6beta,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate
    • NSC135073
    • Inchi： 1S/C30H40O7/c1-15-12-23(36-27(34)16(15)2)17(3)20-6-7-22-19-13-26-30(37-26)25(33)9-8-24(32)28(30,5)21(19)10-11-29(20,22)14-35-18(4)31/h8-9,17,19-23,25-26,33H,6-7,10-14H2,1-5H3/t17-,19+,20+,21-,22-,23+,25-,26+,28-,29-,30+/m0/s1
    • InChI Key： ZQEYWCXMRUYTGT-ODBZFNPSSA-N
    • SMILES： O1[C@@H]2C[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)[C@@]4(COC(C)=O)CC[C@@H]3[C@]3(C(C=C[C@@H]([C@]132)O)=O)C

Computed Properties

  • Exact Mass: 512.27740361g/mol
  • Monoisotopic Mass: 512.27740361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 5
  • Complexity: 1110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 102?2

Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- Related Literature

Related Categories

21902-99-8 (Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-) Related Products

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