Ophiobolin A

CAS Registry Number®

4611-05-6
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CAS Name

Ophiobolin A

Molecular Formula

C25H36O4

Molecular Mass

400.55

Cite this Page

Ophiobolin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4611-05-6 (retrieved 2024-04-27) (CAS RN: 4611-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181-182 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1

InChIKey

InChIKey=MWYYLZRWWNBROW-ISPAKYAGSA-N

SMILES

C[C@@H]1[C@@]2([C@]3([C@](C)(CC2)C[C@]4([C@@](C(C=O)=CC3)(C(=O)C[C@@]4(C)O)[H])[H])[H])O[C@@H](C=C(C)C)C1

Canonical SMILES

O=CC1=CCC2C3(OC(C=C(C)C)CC3C)CCC2(C)CC4C1C(=O)CC4(O)C

Other Names for this Substance

  • Spiro[dicyclopenta[a,d]cyclooctene-3(2H),2′(3′H)-furan]-6-carboxaldehyde, 1,3a,4,4′,5′,6a,7,8,9,9a,10,10a-dodecahydro-9-hydroxy-3′,9,10a-trimethyl-5′-(2-methyl-1-propen-1-yl)-7-oxo-, (2′S,3′S,3aR,5′R,6aS,9R,9aS,10aR)-
  • Ophiobola-7,19-dien-25-al, 14,18-epoxy-3-hydroxy-5-oxo-, (18R)-
  • Ophiobolin
  • Cochliobolin A
  • Spiro[dicyclopenta[a,d]cyclooctene-3(2H),2′(3′H)-furan]-6-carboxaldehyde, 1,3a,4,4′,5′,6a,7,8,9,9a,10,10a-dodecahydro-9-hydroxy-3′,9,10a-trimethyl-5′-(2-methyl-1-propenyl)-7-oxo-, (2′S,3′S,3aR,5′R,6aS,9R,9aS,10aR)-

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Deleted or Replaced CAS Registry Numbers

1347-57-5, 5843-70-9, 11022-22-3, 17046-71-8

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