(17-ethanoyl-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl) (E)-2-methylbut-2-enoate

Systemtic Name: (17-ethanoyl-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl) (E)-2-methylbut-2-enoate Openeye Name: (17-acetyl-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl) (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid (17-acetyl-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl) ester IUPAC Name: (17-acetyl-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl) (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid (17-acetyl-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl) ester Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1CC2C(CC=C3C2(CCCC3)C)C4(C1(C(CC4)C(=O)C)C)O

Isomeric SMILES

C/C=C(\C)/C(=O)OC1CC2C(CC=C3C2(CCCC3)C)C4(C1(C(CC4)C(=O)C)C)O

InChI

InChI=1S/C26H38O4/c1-6-16(2)23(28)30-22-15-21-20(11-10-18-9-7-8-13-24(18,21)4)26(29)14-12-19(17(3)27)25(22,26)5/h6,10,19-22,29H,7-9,11-15H2,1-5H3/b16-6+