[(3S)-4-[(4S,6S)-6-[[(4S,6R)-2,2-dimethyl-6-[(2R,4S,6R)-4,6,7-tris(oxidanyl)-2-(phenylmethoxymethoxy)heptyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(phenylmethoxymethoxy)butyl] ethanoate

Systemtic Name: [(3S)-4-[(4S,6S)-6-[[(4S,6R)-2,2-dimethyl-6-[(2R,4S,6R)-4,6,7-tris(oxidanyl)-2-(phenylmethoxymethoxy)heptyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(phenylmethoxymethoxy)butyl] ethanoate Openeye Name: [(3S)-3-(benzyloxymethoxy)-4-[(4S,6S)-6-[[(4S,6R)-6-[(2R,4S,6R)-2-(benzyloxymethoxy)-4,6,7-trihydroxy-heptyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl] acetate CAS Name: acetic acid [(3S)-4-[(4S,6S)-6-[[(4S,6R)-2,2-dimethyl-6-[(2R,4S,6R)-4,6,7-trihydroxy-2-(phenylmethoxymethoxy)heptyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(phenylmethoxymethoxy)butyl] ester IUPAC Name: [(3S)-4-[(4S,6S)-6-[[(4S,6R)-2,2-dimethyl-6-[(2R,4S,6R)-4,6,7-trihydroxy-2-(phenylmethoxymethoxy)heptyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(phenylmethoxymethoxy)butyl] acetate Traditional Name: acetic acid [(3S)-3-(benzoxymethoxy)-4-[(4S,6S)-6-[[(4S,6R)-6-[(2R,4S,6R)-2-(benzoxymethoxy)-4,6,7-trihydroxy-heptyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl] ester Formula: C42H64O13 MolecularWeight: 776.94976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(CC1CC(OC(O1)(C)C)CC2CC(OC(O2)(C)C)CC(CC(CC(CO)O)O)OCOCC3=CC=CC=C3)OCOCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC[C@@H](C[C@H]1C[C@H](OC(O1)(C)C)C[C@@H]2C[C@H](OC(O2)(C)C)C[C@@H](C[C@H](C[C@H](CO)O)O)OCOCC3=CC=CC=C3)OCOCC4=CC=CC=C4

InChI

InChI=1S/C42H64O13/c1-30(44)49-17-16-35(50-28-47-26-31-12-8-6-9-13-31)20-37-22-39(54-41(2,3)52-37)24-40-23-38(53-42(4,5)55-40)21-36(19-33(45)18-34(46)25-43)51-29-48-27-32-14-10-7-11-15-32/h6-15,33-40,43,45-46H,16-29H2,1-5H3/t33-,34+,35-,36+,37-,38+,39-,40-/m0/s1