(3S,14R,18R,19R,20R,21S)-3,14-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-18-methyl-16-oxidanyl-22-phenylmethoxy-20,21-bis(triethylsilyloxy)-19-(2-trimethylsilylethoxymethoxy)docos-6-yn-10-one

Systemtic Name: (3S,14R,18R,19R,20R,21S)-3,14-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4-methoxyphenyl)methoxy]-18-methyl-16-oxidanyl-22-phenylmethoxy-20,21-bis(triethylsilyloxy)-19-(2-trimethylsilylethoxymethoxy)docos-6-yn-10-one Openeye Name: (3S,14R,18R,19R,20R,21S)-22-benzyloxy-3,14-bis[[tert-butyl(dimethyl)silyl]oxy]-16-hydroxy-1-[(4-methoxyphenyl)methoxy]-18-methyl-20,21-bis(triethylsilyloxy)-19-(2-trimethylsilylethoxymethoxy)docos-6-yn-10-one CAS Name: (3S,14R,18R,19R,20R,21S)-3,14-bis[[tert-butyl(dimethyl)silyl]oxy]-16-hydroxy-1-[(4-methoxyphenyl)methoxy]-18-methyl-22-phenylmethoxy-20,21-bis(triethylsilyloxy)-19-(2-trimethylsilylethoxymethoxy)-6-docosyn-10-one IUPAC Name: (3S,14R,18R,19R,20R,21S)-3,14-bis[[tert-butyl(dimethyl)silyl]oxy]-16-hydroxy-1-[(4-methoxyphenyl)methoxy]-18-methyl-22-phenylmethoxy-20,21-bis(triethylsilyloxy)-19-(2-trimethylsilylethoxymethoxy)docos-6-yn-10-one Traditional Name: (3S,14R,18R,19R,20R,21S)-22-benzoxy-3,14-bis[[tert-butyl(dimethyl)silyl]oxy]-16-hydroxy-18-methyl-1-p-anisyloxy-20,21-bis(triethylsilyloxy)-19-(2-trimethylsilylethoxymethoxy)docos-6-yn-10-one Formula: C68H126O11Si5 MolecularWeight: 1260.14894

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OC(COCC1=CC=CC=C1)C(C(C(C)CC(CC(CCCC(=O)CCC#CCCC(CCOCC2=CC=C(C=C2)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)OCOCC[Si](C)(C)C)O[Si](CC)(CC)CC

Isomeric SMILES

CC[Si](CC)(CC)O[C@@H](COCC1=CC=CC=C1)[C@@H]([C@@H]([C@H](C)CC(C[C@@H](CCCC(=O)CCC#CCC[C@@H](CCOCC2=CC=C(C=C2)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)OCOCC[Si](C)(C)C)O[Si](CC)(CC)CC

InChI

InChI=1S/C68H126O11Si5/c1-22-83(23-2,24-3)78-64(54-74-53-57-36-31-30-32-37-57)66(79-84(25-4,26-5)27-6)65(75-55-73-48-49-80(15,16)17)56(7)50-60(70)51-63(77-82(20,21)68(11,12)13)41-35-39-59(69)38-33-28-29-34-40-62(76-81(18,19)67(8,9)10)46-47-72-52-58-42-44-61(71-14)45-43-58/h30-32,36-37,42-45,56,60,62-66,70H,22-27,33-35,38-41,46-55H2,1-21H3/t56-,60?,62+,63-,64+,65-,66+/m1/s1