| 2D Structure | |
| CID | 442014 |
| IUPAC Name | [(4R,4aR,5S,7R,8S,8aR)-8-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate |
| InChI | InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1 |
| InChI Key | CNIWQELMLPUFOS-NVSXQWMQSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C24H34O7 |
| Molecular Weight | 434.5 |
| synonyms | ['Clerodin', 'CHEBI:67461', "[(4R,4aR,5S,7R,8S,8aR)-8-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate", '464-71-1', "{(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate", "((1R,4AR,5S,6R,8S,8ar)-5-((2S,3as,6ar)-2H,3H,3ah,6ah-furo(2,3-b)furan-2-yl)-8-(acetyloxy)-5,6-dimethyl-octahydro-2H-spiro(naphthalene-1,2'-oxirane)-8a-yl)methyl acetic acid", "((1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5,6-dimethyl-5-((2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)octahydro-8aH-spiro(naphthalene-1,2'-oxiran)-8a-yl)methyl acetate", "((4R,4aR,5S,7R,8S,8aR)-8-((3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro(2,3-b)furan-5-yl)-5-acetyloxy-7,8-dimethylspiro(2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane)-4a-yl)methyl acetate", "[(1R,4AR,5S,6R,8S,8ar)-5-[(2S,3as,6ar)-2H,3H,3ah,6ah-furo[2,3-b]furan-2-yl]-8-(acetyloxy)-5,6-dimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-8a-yl]methyl acetic acid", 'CHEMBL2269422', 'SCHEMBL21646206', 'DTXSID40963564', 'Clerodin, >=90% (LC/MS-ELSD)', 'NCGC00347625-02', 'C09075', 'Q27104944', "[8-(Acetyloxy)-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl]methyl acetate"] |
From Pubchem