[(2S,4S)-2-[3-[(4S,6R)-6-[(2S)-2,4-bis(oxidanyl)butyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-oxidanylidene-propyl]-6-oxidanyl-oxan-4-yl] 4-methoxybenzoate

Systemtic Name: [(2S,4S)-2-[3-[(4S,6R)-6-[(2S)-2,4-bis(oxidanyl)butyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-oxidanylidene-propyl]-6-oxidanyl-oxan-4-yl] 4-methoxybenzoate Openeye Name: [(2S,4S)-2-[3-[(4S,6R)-6-[(2S)-2,4-dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-oxo-propyl]-6-hydroxy-tetrahydropyran-4-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S,4S)-2-[3-[(4S,6R)-6-[(2S)-2,4-dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-oxopropyl]-6-hydroxy-4-oxanyl] ester IUPAC Name: [(2S,4S)-2-[3-[(4S,6R)-6-[(2S)-2,4-dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-oxopropyl]-6-hydroxyoxan-4-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2S,4S)-2-[3-[(4S,6R)-6-[(2S)-2,4-dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-keto-propyl]-6-hydroxy-tetrahydropyran-4-yl] ester Formula: C26H38O10 MolecularWeight: 510.57392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(CC(O1)CC(=O)CC2CC(CC(O2)O)OC(=O)C3=CC=C(C=C3)OC)CC(CCO)O)C

Isomeric SMILES

CC1(O[C@@H](C[C@H](O1)CC(=O)C[C@@H]2C[C@@H](CC(O2)O)OC(=O)C3=CC=C(C=C3)OC)C[C@H](CCO)O)C

InChI

InChI=1S/C26H38O10/c1-26(2)35-22(10-17(28)8-9-27)14-23(36-26)12-18(29)11-20-13-21(15-24(30)33-20)34-25(31)16-4-6-19(32-3)7-5-16/h4-7,17,20-24,27-28,30H,8-15H2,1-3H3/t17-,20+,21-,22+,23+,24?/m0/s1