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

Systemtic Name: (2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-naphthalen-2-yl-hept-5-enoic acid Openeye Name: (2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-(2-naphthyl)hept-5-enoic acid CAS Name: (2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-(2-naphthalenyl)-5-heptenoic acid IUPAC Name: (2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-naphthalen-2-ylhept-5-enoic acid Traditional Name: (2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-(2-naphthyl)hept-5-enoic acid Formula: C41H54O6 MolecularWeight: 642.86386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC(=C(C)C)C5=CC6=CC=CC=C6C=C5)C(=O)O)OC(=O)C)C)O)C

Isomeric SMILES

C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3([C@H]2[C@@H](CC\4[C@@]3(C[C@@H](/C4=C(/CCC(=C(C)C)C5=CC6=CC=CC=C6C=C5)\C(=O)O)OC(=O)C)C)O)C)C)O

InChI

InChI=1S/C41H54O6/c1-23(2)29(28-13-12-26-10-8-9-11-27(26)20-28)14-15-30(38(45)46)36-32-21-34(44)37-39(5)18-17-33(43)24(3)31(39)16-19-40(37,6)41(32,7)22-35(36)47-25(4)42/h8-13,20,24,31-35,37,43-44H,14-19,21-22H2,1-7H3,(H,45,46)/b36-30-/t24-,31?,32?,33+,34+,35-,37-,39-,40-,41-/m0/s1