(2E)-2-[(3R,4S,5S,8S,10S,13R,14S,16S)-16-acetyloxy-3-[[(2R,3S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4,8,10,14-tetramethyl-11-oxidanylidene-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid

Systemtic Name: (2E)-2-[(3R,4S,5S,8S,10S,13R,14S,16S)-16-acetyloxy-3-[[(2R,3S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4,8,10,14-tetramethyl-11-oxidanylidene-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid Openeye Name: (2E)-2-[(3R,4S,5S,8S,10S,13R,14S,16S)-16-acetoxy-3-[[(2R,3S)-3-acetoxy-2-(acetoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid CAS Name: (2E)-2-[(3R,4S,5S,8S,10S,13R,14S,16S)-16-acetyloxy-3-[[(2R,3S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-heptenoic acid IUPAC Name: (2E)-2-[(3R,4S,5S,8S,10S,13R,14S,16S)-16-acetyloxy-3-[[(2R,3S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid Traditional Name: (2E)-2-[(3R,4S,5S,8S,10S,13R,14S,16S)-16-acetoxy-3-[[(2R,3S)-3-acetoxy-2-(acetoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-11-keto-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid Formula: C41H58O11 MolecularWeight: 726.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3(C(C2(CCC1OC4C=CC(C(O4)COC(=O)C)OC(=O)C)C)C(=O)CC5C3(CC(C5=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)C

Isomeric SMILES

C[C@H]1[C@@H]2CC[C@]3(C([C@]2(CC[C@H]1OC4C=C[C@@H]([C@H](O4)COC(=O)C)OC(=O)C)C)C(=O)C[C@@H]\5[C@@]3(C[C@@H](/C5=C(\CCC=C(C)C)/C(=O)O)OC(=O)C)C)C

InChI

InChI=1S/C41H58O11/c1-22(2)11-10-12-27(38(46)47)36-29-19-30(45)37-39(7)17-16-31(51-35-14-13-32(49-25(5)43)34(52-35)21-48-24(4)42)23(3)28(39)15-18-40(37,8)41(29,9)20-33(36)50-26(6)44/h11,13-14,23,28-29,31-35,37H,10,12,15-21H2,1-9H3,(H,46,47)/b36-27+/t23-,28-,29-,31+,32-,33-,34+,35?,37?,39-,40-,41-/m0/s1