octadecyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylate

Systemtic Name: octadecyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylate Openeye Name: octadecyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylate CAS Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid octadecyl ester IUPAC Name: octadecyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylate Traditional Name: 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylic acid stearyl ester Formula: C38H68O2 MolecularWeight: 556.94532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1(CCCC2(C1CC=C3C2CCC(C3)C(C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1(CCCC2(C1CC=C3C2CCC(C3)C(C)C)C)C

InChI

InChI=1S/C38H68O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-40-36(39)38(5)28-22-27-37(4)34-25-23-32(31(2)3)30-33(34)24-26-35(37)38/h24,31-32,34-35H,6-23,25-30H2,1-5H3