2-ethylhexyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

Systemtic Name: 2-ethylhexyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Openeye Name: 2-ethylhexyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate CAS Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Traditional Name: 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 2-ethylhexyl ester Formula: C28H46O2 MolecularWeight: 414.66364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C

Isomeric SMILES

CCCCC(CC)COC(=O)C1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C

InChI

InChI=1S/C28H46O2/c1-7-9-11-21(8-2)19-30-26(29)28(6)17-10-16-27(5)24-14-12-22(20(3)4)18-23(24)13-15-25(27)28/h13,18,20-21,24-25H,7-12,14-17,19H2,1-6H3