(8aR,9S)-4-acetyloxy-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid

Systemtic Name: (8aR,9S)-4-acetyloxy-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Openeye Name: (8aR,9S)-4-acetoxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid CAS Name: (8aR,9S)-4-acetyloxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid IUPAC Name: (8aR,9S)-4-acetyloxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Traditional Name: (8aR,9S)-4-acetoxy-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Formula: C18H18O6 MolecularWeight: 330.33192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC2=C1C3=CC(=O)CCC3C(C2)C(=O)O)OC

Isomeric SMILES

CC(=O)OC1=C(C=CC2=C1C3=CC(=O)CC[C@@H]3[C@H](C2)C(=O)O)OC

InChI

InChI=1S/C18H18O6/c1-9(19)24-17-15(23-2)6-3-10-7-14(18(21)22)12-5-4-11(20)8-13(12)16(10)17/h3,6,8,12,14H,4-5,7H2,1-2H3,(H,21,22)/t12-,14-/m0/s1