methyl (2S,4R)-2-propyl-4-[(4R,5S,8S,9S,10R,13R,14S)-4,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (2S,4R)-2-propyl-4-[(4R,5S,8S,9S,10R,13R,14S)-4,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (2S,4R)-2-propyl-4-[(4R,5S,8S,9S,10R,13R,14S)-4,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (2S,4R)-2-propyl-4-[(4R,5S,8S,9S,10R,13R,14S)-4,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (2S,4R)-2-propyl-4-[(4R,5S,8S,9S,10R,13R,14S)-4,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (2S,4R)-2-propyl-4-[(4R,5S,8S,9S,10R,13R,14S)-4,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C30H52O2 MolecularWeight: 444.73268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C)C1CCC2C1(CCC3C2CCC4(C3(CCCC4C)C)C)C)C(=O)OC

Isomeric SMILES

CCC[C@@H](C[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]4([C@@]3(CCC[C@H]4C)C)C)C)C(=O)OC

InChI

InChI=1S/C30H52O2/c1-8-10-22(27(31)32-7)19-20(2)24-12-13-25-23-14-18-29(5)21(3)11-9-16-30(29,6)26(23)15-17-28(24,25)4/h20-26H,8-19H2,1-7H3/t20-,21-,22+,23+,24?,25+,26+,28-,29+,30-/m1/s1