(1R,4aR,4bR,7S,10aR)-7-methoxy-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Systemtic Name: (1R,4aR,4bR,7S,10aR)-7-methoxy-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid Openeye Name: (1R,4aR,4bR,7S,10aR)-7-isopropyl-7-methoxy-1,4a-dimethyl-9-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid CAS Name: (1R,4aR,4bR,7S,10aR)-7-methoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid IUPAC Name: (1R,4aR,4bR,7S,10aR)-7-methoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid Traditional Name: (1R,4aR,4bR,7S,10aR)-7-isopropyl-9-keto-7-methoxy-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC2C(=C1)C(=O)CC3C2(CCCC3(C)C(=O)O)C)OC

Isomeric SMILES

CC(C)[C@]1(CC[C@H]2C(=C1)C(=O)C[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)OC

InChI

InChI=1S/C21H32O4/c1-13(2)21(25-5)10-7-15-14(12-21)16(22)11-17-19(15,3)8-6-9-20(17,4)18(23)24/h12-13,15,17H,6-11H2,1-5H3,(H,23,24)/t15-,17+,19+,20+,21+/m0/s1