| 2D Structure | |
| CID | 119041 |
| IUPAC Name | (1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione |
| InChI | InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1 |
| InChI Key | MAYJEFRPIKEYBL-OASIGRBWSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C26H30O7 |
| Molecular Weight | 454.5 |
| synonyms | ['Obacunone', '751-03-1', '(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione', '(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo(9.9.0.02,4.02,8.012,18)icos-13-ene-5,15,20-trione', 'OBACUNON', 'MFCD00075888', 'Obacunoic acid, eta-lactone', 'AI3-37934', 'Casimirolide', 'CHEBI:7713', "(1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-1-(furan-3-yl)-4b,7,7,11a,13a-pentamethyl-1,6a,7,11a,11b,12,13,13a-octahydrooxepino[4',3':3,4]benzo[1,2-f]oxireno[2,3-d]isochromene-3,5,9(3aH,4bH,6H)-trione", 'CCRIS 8657', 'Obacunone (Standard)', 'MLS002473187', 'Oxireno(4,4a)-2-benzopyrano(6,5-g)(2)benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11aR,11bR,11bR,13aS)-', 'SCHEMBL564187', 'CHEMBL404140', 'orb1304247', 'HY-N0428R', 'DTXSID20996592', 'HMS2198M14', 'EX-A4868', 'HY-N0428', 's3784', 'AKOS015897086', 'CCG-269280', 'FO65314', 'NCGC00247493-01', 'AC-34270', 'AS-56011', 'SMR001397279', 'SY077229', 'CS-0008951', 'C08775', 'Q27107562', 'Z3234884793', '(1R,2R,4S,7S,8S,11R,12R,18R)-7-(3-furyl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione', "8-(Furan-3-yl)-1,1,5a,7a,11b-pentamethyl-5b,6,7,7a,8,11b,13,13a-octahydrooxireno[4',5']pyrano[4',3':5,6]naphtho[2,1-c]oxepine-3,10,12(1H,5aH,10aH)-trione"] |
From Pubchem