(2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(acetyloxymethyl)-4,10,13,14-tetramethyl-3-oxidanylidene-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid

Systemtic Name: (2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(acetyloxymethyl)-4,10,13,14-tetramethyl-3-oxidanylidene-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid Openeye Name: (2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(acetoxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid CAS Name: (2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(acetyloxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-heptenoic acid IUPAC Name: (2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(acetyloxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid Traditional Name: (2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(acetoxymethyl)-3-keto-4,10,13,14-tetramethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid Formula: C32H48O5 MolecularWeight: 512.72052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)COC(=O)C)C)C)C)C(=O)O)C

Isomeric SMILES

CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)[C@]4(C)COC(=O)C)C)C)C)C(=O)O)C

InChI

InChI=1S/C32H48O5/c1-20(2)9-8-10-22(28(35)36)23-13-17-32(7)25-11-12-26-29(4,24(25)14-18-31(23,32)6)16-15-27(34)30(26,5)19-37-21(3)33/h9,11,22-24,26H,8,10,12-19H2,1-7H3,(H,35,36)/t22-,23-,24-,26+,29+,30+,31-,32+/m0/s1