methyl 2-[(2R,3S,4aR,6S,7R,9R,9aS)-7-[[(2S,3R,5Z,7S,8R)-8-[2-[(4-methoxyphenyl)methoxymethoxy]ethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4,7,8-tetrahydro-2H-oxocin-7-yl]oxy]-9a-methyl-3,9-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxepin-6-yl]ethanoate

Systemtic Name: methyl 2-[(2R,3S,4aR,6S,7R,9R,9aS)-7-[[(2S,3R,5Z,7S,8R)-8-[2-[(4-methoxyphenyl)methoxymethoxy]ethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4,7,8-tetrahydro-2H-oxocin-7-yl]oxy]-9a-methyl-3,9-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxepin-6-yl]ethanoate Openeye Name: methyl 2-[(2R,3S,4aR,6S,7R,9R,9aS)-3,9-dibenzyloxy-7-[[(2S,3R,5Z,7S,8R)-3-benzyloxy-2-(benzyloxymethyl)-8-[2-[(4-methoxyphenyl)methoxymethoxy]ethyl]-3,4,7,8-tetrahydro-2H-oxocin-7-yl]oxy]-2-(benzyloxymethyl)-9a-methyl-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxepin-6-yl]acetate CAS Name: 2-[(2R,3S,4aR,6S,7R,9R,9aS)-7-[[(2S,3R,5Z,7S,8R)-8-[2-[(4-methoxyphenyl)methoxymethoxy]ethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4,7,8-tetrahydro-2H-oxocin-7-yl]oxy]-9a-methyl-3,9-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxepin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,3S,4aR,6S,7R,9R,9aS)-7-[[(2S,3R,5Z,7S,8R)-8-[2-[(4-methoxyphenyl)methoxymethoxy]ethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4,7,8-tetrahydro-2H-oxocin-7-yl]oxy]-9a-methyl-3,9-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxepin-6-yl]acetate Traditional Name: 2-[(2R,3S,4aR,6S,7R,9R,9aS)-3,9-dibenzoxy-7-[[(2S,3R,5Z,7S,8R)-3-benzoxy-2-(benzoxymethyl)-8-[2-(p-anisyloxymethoxy)ethyl]-3,4,7,8-tetrahydro-2H-oxocin-7-yl]oxy]-2-(benzoxymethyl)-9a-methyl-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxepin-6-yl]acetic acid methyl ester Formula: C68H80O14 MolecularWeight: 1121.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(CC(C(O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(C(CC2OCC5=CC=CC=C5)OC6C=CCC(C(OC6CCOCOCC7=CC=C(C=C7)OC)COCC8=CC=CC=C8)OCC9=CC=CC=C9)CC(=O)OC

Isomeric SMILES

C[C@]12[C@@H](C[C@@H]([C@H](O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]([C@@H](C[C@H]2OCC5=CC=CC=C5)O[C@H]6/C=C\C[C@H]([C@@H](O[C@@H]6CCOCOCC7=CC=C(C=C7)OC)COCC8=CC=CC=C8)OCC9=CC=CC=C9)CC(=O)OC

InChI

InChI=1S/C68H80O14/c1-68-65(78-46-54-28-17-8-18-29-54)39-61(62(40-67(69)71-3)81-66(68)38-60(77-45-53-26-15-7-16-27-53)64(82-68)48-74-42-51-22-11-5-12-23-51)79-58-31-19-30-57(76-44-52-24-13-6-14-25-52)63(47-73-41-50-20-9-4-10-21-50)80-59(58)36-37-72-49-75-43-55-32-34-56(70-2)35-33-55/h4-29,31-35,57-66H,30,36-49H2,1-3H3/b31-19-/t57-,58+,59-,60+,61-,62+,63+,64-,65-,66-,68+/m1/s1