(4aS,8aR)-3,6,6-trimethyl-3-oxidanyl-2,4,4a,7,8,8a-hexahydronaphthalene-1,5-dione

Systemtic Name: (4aS,8aR)-3,6,6-trimethyl-3-oxidanyl-2,4,4a,7,8,8a-hexahydronaphthalene-1,5-dione Openeye Name: (4aR,8aS)-7-hydroxy-2,2,7-trimethyl-decalin-1,5-dione CAS Name: (4aS,8aR)-3-hydroxy-3,6,6-trimethyl-2,4,4a,7,8,8a-hexahydronaphthalene-1,5-dione IUPAC Name: (4aS,8aR)-3-hydroxy-3,6,6-trimethyl-2,4,4a,7,8,8a-hexahydronaphthalene-1,5-dione Traditional Name: (4aR,8aS)-7-hydroxy-2,2,7-trimethyl-decalin-1,5-quinone Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1=O)CC(CC2=O)(C)O)C

Isomeric SMILES

CC1(CC[C@@H]2[C@@H](C1=O)CC(CC2=O)(C)O)C

InChI

InChI=1S/C13H20O3/c1-12(2)5-4-8-9(11(12)15)6-13(3,16)7-10(8)14/h8-9,16H,4-7H2,1-3H3/t8-,9+,13?/m1/s1