(4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid

Systemtic Name: (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid Openeye Name: (4aR,10aS)-7-isopropyl-5,6-dimethoxy-1,1-dimethyl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid CAS Name: (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid IUPAC Name: (4aR,10aS)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid Traditional Name: (4aR,10aS)-7-isopropyl-5,6-dimethoxy-1,1-dimethyl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C(=C1)C=CC3C2(CCCC3(C)C)C(=O)O)OC)OC

Isomeric SMILES

CC(C)C1=C(C(=C2C(=C1)C=C[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)OC)OC

InChI

InChI=1S/C22H30O4/c1-13(2)15-12-14-8-9-16-21(3,4)10-7-11-22(16,20(23)24)17(14)19(26-6)18(15)25-5/h8-9,12-13,16H,7,10-11H2,1-6H3,(H,23,24)/t16-,22+/m0/s1