(4aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid

Systemtic Name: (4aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid Openeye Name: (4aR)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid CAS Name: (4aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid IUPAC Name: (4aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid Traditional Name: (4aR)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CC=C3C2(CCCC3(C)C)C(=O)O)OC

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CC=C3[C@@]2(CCCC3(C)C)C(=O)O)OC

InChI

InChI=1S/C21H28O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,19(22)23)16(14)12-17(15)24-5/h8,11-13H,6-7,9-10H2,1-5H3,(H,22,23)/t21-/m0/s1