4-(3-ethynyl-3,7,7,10,12,12,13-heptamethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanal

Systemtic Name: 4-(3-ethynyl-3,7,7,10,12,12,13-heptamethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanal Openeye Name: 4-(3-ethynyl-3,7,7,10,12,12,13-heptamethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanal CAS Name: 4-(3-ethynyl-3,7,7,10,12,12,13-heptamethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanal IUPAC Name: 4-(3-ethynyl-3,7,7,10,12,12,13-heptamethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanal Traditional Name: 4-(3-ethynyl-3,7,7,10,12,12,13-heptamethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)valeraldehyde Formula: C31H50O MolecularWeight: 438.7281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)(C)C#C)C)(C)C)(C)C)C

Isomeric SMILES

CC(CCC=O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)(C)C#C)C)(C)C)(C)C)C

InChI

InChI=1S/C31H50O/c1-10-29(7)15-16-30(8)22(19-29)18-27(3,4)26-24-14-13-23(21(2)12-11-17-32)31(24,9)28(5,6)20-25(26)30/h1,17,21-26H,11-16,18-20H2,2-9H3