10,13-dimethyl-3-[(E)-octadec-9-enoyl]oxy-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid

Systemtic Name: 10,13-dimethyl-3-[(E)-octadec-9-enoyl]oxy-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid Openeye Name: 10,13-dimethyl-17-(1-methylbutyl)-3-[(E)-octadec-9-enoyl]oxy-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid CAS Name: 10,13-dimethyl-3-[(E)-1-oxooctadec-9-enoxy]-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid IUPAC Name: 10,13-dimethyl-3-[(E)-octadec-9-enoyl]oxy-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid Traditional Name: 10,13-dimethyl-17-(1-methylbutyl)-3-[(E)-octadec-9-enoyl]oxy-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid Formula: C43H74O4 MolecularWeight: 655.04526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CCC2(C1)C(=O)O)CCC4C(C)CCC)C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CCC2(C1)C(=O)O)CCC4C(C)CCC)C)C

InChI

InChI=1S/C43H74O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-39(44)47-34-26-30-42(5)38-28-29-41(4)36(33(3)22-7-2)24-25-37(41)35(38)27-31-43(42,32-34)40(45)46/h14-15,33-38H,6-13,16-32H2,1-5H3,(H,45,46)/b15-14+