Cas no 90411-20-4 (Anhydroepiophiobolin A)

Anhydroepiophiobolin A structure
Anhydroepiophiobolin A structure
Product Name:Anhydroepiophiobolin A
CAS No:90411-20-4
MF:C25H34O3
MW:382.535667896271
CID:1066736
PubChem ID:12306828
Update Time:2024-10-26

Anhydroepiophiobolin A Chemical and Physical Properties

Names and Identifiers

    • ANHYDROEPIOPHIOBOLIN A
    • (2′S,3′S,3aR,5′R,6aR,9aS,10aR)-2,3a,4,4′,5′,6a,7,9a,10,10a-Decahydro-3′,9,10a-trimethyl-5′-(2-methyl-1-propen-1-yl)-7-oxospiro[dicyclopenta[a,d]cyclooctene-3(1H),2′(3′H)-furan]-6-carboxaldehyde (ACI)
    • Ophiobola-3,7,19-trien-25-al, 14,18-epoxy-5-oxo-, (6α,18R)- (ZCI)
    • Spiro[dicyclopenta[a,d]cyclooctene-3(2H),2′(3′H)-furan]-6-carboxaldehyde, 1,3a,4,4′,5′,6a,7,9a,10,10a-decahydro-3′,9,10a-trimethyl-5′-(2-methyl-1-propenyl)-7-oxo-, (2′S,3′S,3aR,5′R,6aR,9aS,10aR)- (9CI)
    • 3-Anhydro-6-epi-ophiobolin A
    • epi-Ophiobolin A
    • Spiro[dicyclopenta[a,d]cyclooctene-3(2H),2′(3′H)-furan]-6-carboxaldehyde, 1,3a,4,4′,5′,6a,7,9a,10,10a-decahydro-3′,9,10a-trimethyl-5′-(2-methyl-1-propenyl)-7-oxo-, [3S-[3α(3′R*,5′S*),3aα,6aα,9aβ,10aβ]]-
    • AnhydroepiophiobolinA
    • 90411-20-4
    • CHEMBL2393053
    • Anhydro-6-epiophiobolin A
    • AKOS040755892
    • CS-0144745
    • (1'R,2S,3S,3'S,5R,7'R,8'E,11'R)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehyde
    • HY-N8488
    • BDBM50530670
    • Desglucosylempagliflozin 4,4'-DImer
    • DA-50484
    • Anhydroepiophiobolin A
    • Inchi: 1S/C25H34O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,14,17,19-20,22-23H,7-9,12-13H2,1-5H3/t17-,19-,20+,22+,23-,24+,25-/m0/s1
    • InChI Key: MDYSLOGZXCWLSL-SNGSTBHLSA-N
    • SMILES: C[C@H]1C[C@H](/C=C(\C)/C)O[C@]21CC[C@@]1(C[C@@H]3C(C)=CC(=O)[C@H]3C(=CC[C@@H]21)C=O)C

Computed Properties

  • Exact Mass: 382.25079494g/mol
  • Monoisotopic Mass: 382.25079494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 784
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 43.4?2

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Anhydroepiophiobolin A Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: p-Toluenesulfonic acid Solvents: Toluene ;  20 h, rt
Reference
Fungal metabolite ophiobolin A as a promising anti-glioma agent: In vivo evaluation, structure-activity relationship and unique pyrrolylation of primary amines
Dasari, Ramesh; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(20), 4544-4548

Anhydroepiophiobolin A Raw materials

Anhydroepiophiobolin A Preparation Products

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