(3aR,4S,6R,7R,7aS)-4-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

Systemtic Name: (3aR,4S,6R,7R,7aS)-4-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one Openeye Name: (3aR,4S,6R,7R,7aS)-7-benzyloxy-6-(benzyloxymethyl)-4-[(2R,3R,4S,5R,6S)-4,5-dibenzyloxy-2-(benzyloxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one CAS Name: (3aR,4S,6R,7R,7aS)-4-[[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-7-phenylmethoxy-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one IUPAC Name: (3aR,4S,6R,7R,7aS)-4-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-7-phenylmethoxy-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one Traditional Name: (3aR,4S,6R,7R,7aS)-7-benzoxy-6-(benzoxymethyl)-4-[(2R,3R,4S,5R,6S)-4,5-dibenzoxy-2-(benzoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one Formula: C49H52O12 MolecularWeight: 832.92998

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C4C(C(C(O3)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)O4)OCC7=CC=CC=C7)OCC8=CC=CC=C8

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@H]4[C@H]([C@@H]([C@H](O3)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)O4)OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C49H52O12/c1-51-47-45(56-31-38-25-15-6-16-26-38)43(55-30-37-23-13-5-14-24-37)42(40(57-47)33-53-28-35-19-9-3-10-20-35)59-48-46-44(60-49(50)61-46)41(54-29-36-21-11-4-12-22-36)39(58-48)32-52-27-34-17-7-2-8-18-34/h2-26,39-48H,27-33H2,1H3/t39-,40-,41-,42-,43+,44+,45-,46-,47+,48+/m1/s1