methyl 5-[[(2R,3R,4S,5R,6S)-3-[[(2R,4aR,6S,7R,8S,8aS)-8-oxidanyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxymethyl]-2-methyl-benzoate

Systemtic Name: methyl 5-[[(2R,3R,4S,5R,6S)-3-[[(2R,4aR,6S,7R,8S,8aS)-8-oxidanyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxymethyl]-2-methyl-benzoate Openeye Name: methyl 5-[[(2R,3R,4S,5R,6S)-3-[[(2R,4aR,6S,7R,8S,8aS)-7-benzyloxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzyloxy-6-methoxy-tetrahydropyran-2-yl]methoxymethyl]-2-methyl-benzoate CAS Name: 5-[[(2R,3R,4S,5R,6S)-3-[[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-methoxy-4,5-bis(phenylmethoxy)-2-oxanyl]methoxymethyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 5-[[(2R,3R,4S,5R,6S)-3-[[(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxymethyl]-2-methylbenzoate Traditional Name: 5-[[(2R,3R,4S,5R,6S)-3-[[(2R,4aR,6S,7R,8S,8aS)-7-benzoxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzoxy-6-methoxy-tetrahydropyran-2-yl]methoxymethyl]-2-methyl-benzoic acid methyl ester Formula: C51H56O13 MolecularWeight: 876.98254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COCC2C(C(C(C(O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC5C(C(C6C(O5)COC(O6)C7=CC=CC=C7)O)OCC8=CC=CC=C8)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@H]6[C@H](O5)CO[C@H](O6)C7=CC=CC=C7)O)OCC8=CC=CC=C8)C(=O)OC

InChI

InChI=1S/C51H56O13/c1-33-24-25-37(26-39(33)48(53)54-2)27-56-31-40-44(46(58-29-35-18-10-5-11-19-35)47(50(55-3)61-40)59-30-36-20-12-6-13-21-36)64-51-45(57-28-34-16-8-4-9-17-34)42(52)43-41(62-51)32-60-49(63-43)38-22-14-7-15-23-38/h4-26,40-47,49-52H,27-32H2,1-3H3/t40-,41-,42+,43-,44-,45-,46+,47-,49-,50+,51+/m1/s1