octadecyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: octadecyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: octadecyl 7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid octadecyl ester IUPAC Name: octadecyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: 7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid stearyl ester Formula: C38H64O2 MolecularWeight: 552.91356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1(CCCC2(C1CCC3=C2C=CC(=C3)C(C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1(CCCC2(C1CCC3=C2C=CC(=C3)C(C)C)C)C

InChI

InChI=1S/C38H64O2/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/h23,25,30-31,35H,6-22,24,26-29H2,1-5H3