[(2R,3S,4S,5R,6R)-6-[[(1S,3S,5S)-5-(2-hydroxyethyl)-3-(4-hydroxyphenyl)carbonyloxy-2-methylidene-cyclopentyl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 4-oxidanylbenzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[[(1S,3S,5S)-5-(2-hydroxyethyl)-3-(4-hydroxyphenyl)carbonyloxy-2-methylidene-cyclopentyl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 4-oxidanylbenzoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,3S,5S)-3-(4-hydroxybenzoyl)oxy-5-(2-hydroxyethyl)-2-methylene-cyclopentyl]methoxy]tetrahydropyran-2-yl]methyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,3S,5S)-5-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)-oxomethoxy]-2-methylenecyclopentyl]methoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,3S,5S)-3-(4-hydroxybenzoyl)oxy-5-(2-hydroxyethyl)-2-methylidenecyclopentyl]methoxy]oxan-2-yl]methyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,3S,5S)-3-(4-hydroxybenzoyl)oxy-5-(2-hydroxyethyl)-2-methylene-cyclopentyl]methoxy]tetrahydropyran-2-yl]methyl ester Formula: C29H34O12 MolecularWeight: 574.57306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(CC(C1COC2C(C(C(C(O2)COC(=O)C3=CC=C(C=C3)O)O)O)O)CCO)OC(=O)C4=CC=C(C=C4)O

Isomeric SMILES

C=C1[C@H](C[C@@H]([C@@H]1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)O)O)O)O)CCO)OC(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C29H34O12/c1-15-21(18(10-11-30)12-22(15)40-28(37)17-4-8-20(32)9-5-17)13-39-29-26(35)25(34)24(33)23(41-29)14-38-27(36)16-2-6-19(31)7-3-16/h2-9,18,21-26,29-35H,1,10-14H2/t18-,21+,22-,23+,24+,25-,26+,29+/m0/s1