(2R,4aR,6aS,7R,9aS)-8,8-dimethyl-7-oxidanyl-3-oxidanylidene-spiro[4a,6a,7,9-tetrahydro-1H-pentaleno[1,6a-b]pyran-2,2'-oxirane]-5-carboxylic acid

Systemtic Name: (2R,4aR,6aS,7R,9aS)-8,8-dimethyl-7-oxidanyl-3-oxidanylidene-spiro[4a,6a,7,9-tetrahydro-1H-pentaleno[1,6a-b]pyran-2,2'-oxirane]-5-carboxylic acid Openeye Name: (2R,4aR,6aS,7R,9aS)-7-hydroxy-8,8-dimethyl-3-oxo-spiro[4a,6a,7,9-tetrahydro-1H-pentaleno[1,6a-b]pyran-2,2'-oxirane]-5-carboxylic acid CAS Name: (2R,4aR,6aS,7R,9aS)-7-hydroxy-8,8-dimethyl-3-oxo-5-spiro[4a,6a,7,9-tetrahydro-1H-pentaleno[1,6a-b]pyran-2,2'-oxirane]carboxylic acid IUPAC Name: (2R,4aR,6aS,7R,9aS)-7-hydroxy-8,8-dimethyl-3-oxospiro[4a,6a,7,9-tetrahydro-1H-pentaleno[1,6a-b]pyran-2,2'-oxirane]-5-carboxylic acid Traditional Name: (2R,4aR,6aS,7R,9aS)-7-hydroxy-3-keto-8,8-dimethyl-spiro[4a,6a,7,9-tetrahydro-1H-pentaleno[1,6a-b]pyran-2,2'-oxirane]-5-carboxylic acid Formula: C15H18O6 MolecularWeight: 294.29982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC23CC4(CO4)C(=O)OC2C(=CC3C1O)C(=O)O)C

Isomeric SMILES

CC1(C[C@@]23C[C@@]4(CO4)C(=O)O[C@H]2C(=C[C@@H]3[C@H]1O)C(=O)O)C

InChI

InChI=1S/C15H18O6/c1-13(2)4-14-5-15(6-20-15)12(19)21-10(14)7(11(17)18)3-8(14)9(13)16/h3,8-10,16H,4-6H2,1-2H3,(H,17,18)/t8-,9-,10+,14+,15-/m1/s1