6-methyl-6,7-bis(oxidanyl)-4b-prop-2-enyl-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid

Systemtic Name: 6-methyl-6,7-bis(oxidanyl)-4b-prop-2-enyl-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid Openeye Name: 4b-allyl-6,7-dihydroxy-6-methyl-7-(2-pyridyl)-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid CAS Name: 6,7-dihydroxy-6-methyl-4b-prop-2-enyl-7-(2-pyridinyl)-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid IUPAC Name: 6,7-dihydroxy-6-methyl-4b-prop-2-enyl-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid Traditional Name: 4b-allyl-6,7-dihydroxy-6-methyl-7-(2-pyridyl)-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid Formula: C24H27NO4 MolecularWeight: 393.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(C(CCC3=C2C=CC(=C3)C(=O)O)CC1(C4=CC=CC=N4)O)CC=C)O

Isomeric SMILES

CC1(CC2(C(CCC3=C2C=CC(=C3)C(=O)O)CC1(C4=CC=CC=N4)O)CC=C)O

InChI

InChI=1S/C24H27NO4/c1-3-11-23-15-22(2,28)24(29,20-6-4-5-12-25-20)14-18(23)9-7-16-13-17(21(26)27)8-10-19(16)23/h3-6,8,10,12-13,18,28-29H,1,7,9,11,14-15H2,2H3,(H,26,27)