Summary
SMILES: CC(=O)O[C@H]1[C@H](OC(=O)C)[C@H]2O[C@H]2[C@@H]2[C@@]1(COC(=O)c1ccccc1)O2InChI: InChI=1S/C18H18O8/c1-9(19)23-13-12-14(25-12)16-18(26-16,15(13)24-10(2)20)8-22-17(21)11-6-4-3-5-7-11/h3-7,12-16H,8H2,1-2H3/t12-,13-,14-,15+,16-,18+/m1/s1InChIKey: ASAWUXMEXFAFMU-DBDULZNHSA-N
DeepSMILES: CC=O)O[C@H][C@H]OC=O)C)))[C@H]O[C@H]3[C@@H][C@@]7COC=O)cccccc6)))))))))O3
Scaffold Graph/Node/Bond level: O=C(OCC12CCC3OC3C1O2)c1ccccc1
Scaffold Graph/Node level: OC(OCC12CCC3OC3C1O2)C1CCCCC1
Scaffold Graph level: CC(CCC12CCC3CC3C1C2)C1CCCCC1
Functional groups: CC(=O)OC; C[C@]12CC[C@H]3O[C@H]3[C@H]1O2; cC(=O)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Benzene and substituted derivatives
ClassyFire Subclass: Benzoic acids and derivatives
Synonymous chemical names:(+)-crotepoxide, crotepoxide
External chemical identifiers:CID:161314; ChEMBL:CHEMBL1976475; ZINC:ZINC000004962900
Chemical structure download