[(1S)-1-[(3S,5S,8R,9S,10S,13R,14R,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate

Systemtic Name: [(1S)-1-[(3S,5S,8R,9S,10S,13R,14R,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate Openeye Name: [(1S)-1-[(3S,5S,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S)-1-[(3S,5S,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester IUPAC Name: [(1S)-1-[(3S,5S,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S)-1-[(3S,5S,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C26H44O4 MolecularWeight: 420.62516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)OC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H44O4/c1-16(30-22(28)23(2,3)4)19-11-14-26(29)21-8-7-17-15-18(27)9-12-24(17,5)20(21)10-13-25(19,26)6/h16-21,27,29H,7-15H2,1-6H3/t16-,17-,18-,19+,20-,21+,24-,25+,26+/m0/s1