(2R)-2-[(4S,8S,10S,11R,14S,16S,17S)-16-acetyloxy-4,8,10,14-tetramethyl-11-oxidanyl-3-oxidanylidene-2,4,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid

Systemtic Name: (2R)-2-[(4S,8S,10S,11R,14S,16S,17S)-16-acetyloxy-4,8,10,14-tetramethyl-11-oxidanyl-3-oxidanylidene-2,4,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid Openeye Name: (2R)-2-[(4S,8S,10S,11R,14S,16S,17S)-16-acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxo-2,4,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid CAS Name: (2R)-2-[(4S,8S,10S,11R,14S,16S,17S)-16-acetyloxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxo-2,4,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyl-4-hexenoic acid IUPAC Name: (2R)-2-[(4S,8S,10S,11R,14S,16S,17S)-16-acetyloxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxo-2,4,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methylhex-4-enoic acid Traditional Name: (2R)-2-[(4S,8S,10S,11R,14S,16S,17S)-16-acetoxy-11-hydroxy-3-keto-4,8,10,14-tetramethyl-2,4,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid Formula: C30H46O6 MolecularWeight: 502.68264

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3(C(C2(CCC1=O)C)C(CC4C3(CC(C4C(CC=C(C)C)C(=O)O)OC(=O)C)C)O)C

Isomeric SMILES

C[C@H]1C2CC[C@]3(C([C@]2(CCC1=O)C)[C@@H](CC4[C@@]3(C[C@@H]([C@@H]4[C@@H](CC=C(C)C)C(=O)O)OC(=O)C)C)O)C

InChI

InChI=1S/C30H46O6/c1-16(2)8-9-19(27(34)35)25-21-14-23(33)26-28(5)12-11-22(32)17(3)20(28)10-13-29(26,6)30(21,7)15-24(25)36-18(4)31/h8,17,19-21,23-26,33H,9-15H2,1-7H3,(H,34,35)/t17-,19+,20?,21?,23+,24-,25+,26?,28-,29-,30-/m0/s1