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

Systemtic Name: (4aR,10aS)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid Openeye Name: (4aR,10aS)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid CAS Name: (4aR,10aS)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid IUPAC Name: (4aR,10aS)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylic acid Traditional Name: (4aR,10aS)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,10a-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)C=CC3C2(CCCC3(C)C)C(=O)O)OC

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)C=C[C@@H]3[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/h7-8,11-13,18H,6,9-10H2,1-5H3,(H,22,23)/t18-,21-/m0/s1