| 2D Structure | |
| CID | 442013 |
| IUPAC Name | [(1R,2S,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-acetyloxy-2-methylbutanoate |
| InChI | InChI=1S/C31H42O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-11,20-26,35H,8,12-15H2,1-7H3/t20-,21-,22-,23+,24+,25+,26+,28-,29+,30+,31-/m1/s1 |
| InChI Key | NXKWGKNTUFLKGN-NLDKIVAHSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C31H42O12 |
| Molecular Weight | 606.7 |
| synonyms | ['Clerodendrin A', '35481-70-0', "[(1R,2S,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-acetyloxy-2-methylbutanoate", 'DTXSID30331718', "((1R,2S,3R,4aR,5R,8S,8aR)-5-((3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro(2,3-b)furan-5-yl)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro(3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane)-2-yl) (2R)-2-acetyloxy-2-methylbutanoate", "(1R,2S,3R,4AR,5R,8S,8ar)-5-((2S,3as,6ar)-2H,3H,3ah,6ah-furo(2,3-b)furan-2-yl)-8-(acetyloxy)-8a-((acetyloxy)methyl)-3-hydroxy-5,6-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-spiro(naphthalene-1,2'-oxirane)-2-yl (2R)-2-(acetyloxy)-2-methylbutanoic acid", "(1R,2S,3R,4AR,5R,8S,8ar)-5-[(2S,3as,6ar)-2H,3H,3ah,6ah-furo[2,3-b]furan-2-yl]-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-spiro[naphthalene-1,2'-oxirane]-2-yl (2R)-2-(acetyloxy)-2-methylbutanoic acid", 'RefChem:126939', 'DTXCID30282812', "((1R,2S,3R,4aR,5R,8S,8aR)-5-((3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro(2,3-b)furan-5-yl)-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5,6-dimethyl-spiro(3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane)-2-yl) (2R)-2-acetoxy-2-methyl-butanoate", "[(1R,2S,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5,6-dimethyl-spiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-acetoxy-2-methyl-butanoate", 'C09074', 'CHEBI:3741', 'CHEMBL2269683', 'SCHEMBL27981038', 'Q27106182', "(1R,2S,3R,4aR,5R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-3,4,4a,5,8,8a-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2R)-2-(acetyloxy)-2-methylbutanoate"] |
From Pubchem