[(3aS,4S,5S,6R,7S,7aS)-5,6-diacetyloxy-7-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] ethanoate

Systemtic Name: [(3aS,4S,5S,6R,7S,7aS)-5,6-diacetyloxy-7-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] ethanoate Openeye Name: [(3aS,4S,5S,6R,7S,7aS)-5,6-diacetoxy-7-[(2R,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] acetate CAS Name: acetic acid [(3aS,4S,5S,6R,7S,7aS)-5,6-diacetyloxy-7-[[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-4-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]yl] ester IUPAC Name: [(3aS,4S,5S,6R,7S,7aS)-5,6-diacetyloxy-7-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] acetate Traditional Name: acetic acid [(3aS,4S,5S,6R,7S,7aS)-5,6-diacetoxy-7-[(2R,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-yl] ester Formula: C47H56O15 MolecularWeight: 860.93854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2C(C(C(C1OC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C)OC7(O2)CCCCC7

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C)OC7(O2)CCCCC7

InChI

InChI=1S/C47H56O15/c1-29(48)55-39-40(56-30(2)49)42(44-43(41(39)57-31(3)50)61-47(62-44)23-15-8-16-24-47)60-46-45(58-32(4)51)38(54-27-35-21-13-7-14-22-35)37(53-26-34-19-11-6-12-20-34)36(59-46)28-52-25-33-17-9-5-10-18-33/h5-7,9-14,17-22,36-46H,8,15-16,23-28H2,1-4H3/t36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46-/m1/s1