Cas no 22146-03-8 (Card-20(22)-enolide,7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3b,5b,7b,11a)- (9CI))

Card-20(22)-enolide,7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3b,5b,7b,11a)- (9CI) structure
22146-03-8 structure
Product Name:Card-20(22)-enolide,7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3b,5b,7b,11a)- (9CI)
CAS No:22146-03-8
MF:C23H30O7
MW:418.480107784271
CID:264580
PubChem ID:20055021
Update Time:2025-04-19

Card-20(22)-enolide,7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3b,5b,7b,11a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Card-20(22)-enolide,7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3b,5b,7b,11a)- (9CI)
    • 7β,8-Epoxy-3β,11α,14-trihydroxy-12-oxo-5β-card-20(22)-enolide
    • BRN 0061772
    • Card-20(22)-enolide, 7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3-beta,5-beta,7-beta,11-alpha)-
    • Q27271121
    • SCHEMBL1228702
    • 5-beta-CARD-20(22)-ENOLIDE, 7-beta,8-EPOXY-3-beta,11-alpha,14-TRIHYDROXY-12-OXO-
    • SARVEROGENIN [MI]
    • Card-20(22)-enolide, 7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3.beta.,5.beta.,7.beta.,11.alpha.)-
    • Card-20(22)-enolide, 7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3beta,5beta,7beta,11alpha)-
    • 22146-03-8
    • 4-19-00-03116 (Beilstein Handbook Reference)
    • 8WE1I5GY2M
    • UNII-8WE1I5GY2M
    • Sarverogenin
    • Inchi: 1S/C23H30O7/c1-20-5-3-13(24)8-12(20)9-15-23(30-15)18(20)17(26)19(27)21(2)14(4-6-22(21,23)28)11-7-16(25)29-10-11/h7,12-15,17-18,24,26,28H,3-6,8-10H2,1-2H3/t12-,13-,14+,15-,17-,18+,20-,21-,22+,23-/m0/s1
    • InChI Key: ACXJWHRFZUSCNC-QBOSKRDWSA-N
    • SMILES: O1[C@H]2C[C@@H]3C[C@H](CC[C@]3(C)[C@H]3[C@@H](C([C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4([C@@]132)O)=O)O)O

Computed Properties

  • Exact Mass: 418.19915329g/mol
  • Monoisotopic Mass: 418.19915329g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 1
  • Complexity: 883
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 117?2

Experimental Properties

  • Melting Point: melting at 232-234°
  • Specific Rotation: D15 +44.5 ± 2° (c = 1.1683 in methanol); D23 +49.5° (methanol)

Card-20(22)-enolide,7,8-epoxy-3,11,14-trihydroxy-12-oxo-, (3b,5b,7b,11a)- (9CI) Related Literature

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