Cas no 100217-92-3 (Ergosta-2,24-dien-26-oicacid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,14b,15a,22R)- (9CI))

Ergosta-2,24-dien-26-oicacid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,14b,15a,22R)- (9CI) structure
100217-92-3 structure
Product Name:Ergosta-2,24-dien-26-oicacid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,14b,15a,22R)- (9CI)
CAS No:100217-92-3
MF:C30H40O8
MW:528.633810043335
CID:160231
PubChem ID:435365
Update Time:2025-04-19

Ergosta-2,24-dien-26-oicacid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,14b,15a,22R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ergosta-2,24-dien-26-oicacid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,14b,15a,22R)- (9CI)
    • [22R,(+)]-15α-Acetyloxy-5,6β-epoxy-4β,14β,22-trihydroxy-1-oxo-5β-ergosta-2,24-diene-26-oic acid 26,22-lactone
    • (+)-Physapubenolide
    • 5,6-Epoxy-5H-cyclopenta[a]phenanthrene,ergosta-2,24-dien-26-oic acid deriv.
    • Physapubenolide
    • 15a-Acetoxy-5b,6b-epoxy-4b,14b-dihydroxy-1-oxo-20S,22R-witha-2,24-dienolide
    • 100217-92-3
    • NSC368674
    • LMST01160015
    • [15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
    • 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0;{2,7}.0;{7,9}.0;{12,16}]octadec-4-en-13-yl acetate
    • 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate
    • CHEBI:167994
    • [22R,(+)]-15alpha-Acetyloxy-5,6beta-epoxy-4beta,14beta,22-trihydroxy-1-oxo-5beta-ergosta-2,24-diene-26-oic acid 26,22-lactone
    • NSC-368674
    • Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,14beta,15alpha,22R)-
    • AKOS040749205
    • DTXSID601105859
    • Inchi： 1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3
    • InChI Key： OPYWYTLAPWWTKW-UHFFFAOYSA-N
    • SMILES： O1C2CC3C(CCC4(C)C(C(C)C5CC(C)=C(C)C(=O)O5)CC(C34O)OC(C)=O)C3(C(C=CC(C132)O)=O)C

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 528.272
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 4
  • Complexity: 1170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 123A^2
  • XLogP3: 2.5

Experimental Properties

  • PSA: 52.54

Ergosta-2,24-dien-26-oicacid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,14b,15a,22R)- (9CI) Related Literature

Related Categories

100217-92-3 (Ergosta-2,24-dien-26-oicacid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,14b,15a,22R)- (9CI)) Related Products

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