[(2R,3R,4S,5R,6R)-2-[[(3aS,5R,9aR,9bS)-6-methyl-3-methylidene-5-oxidanyl-2-oxidanylidene-3a,4,5,7,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] 2-(4-hydroxyphenyl)ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-2-[[(3aS,5R,9aR,9bS)-6-methyl-3-methylidene-5-oxidanyl-2-oxidanylidene-3a,4,5,7,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] 2-(4-hydroxyphenyl)ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-2-[[(3aS,5R,9aR,9bS)-5-hydroxy-6-methyl-3-methylene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 2-(4-hydroxyphenyl)acetate CAS Name: 2-(4-hydroxyphenyl)acetic acid [(2R,3R,4S,5R,6R)-2-[[(3aS,5R,9aR,9bS)-5-hydroxy-6-methyl-3-methylene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-[[(3aS,5R,9aR,9bS)-5-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-(4-hydroxyphenyl)acetate Traditional Name: 2-(4-hydroxyphenyl)acetic acid [(2R,3R,4S,5R,6R)-2-[[(3aS,5R,9aR,9bS)-5-hydroxy-2-keto-6-methyl-3-methylene-3a,4,5,7,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methoxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C29H34O11 MolecularWeight: 558.57366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC=C(C2C3C(CC1O)C(=C)C(=O)O3)COC4C(C(C(C(O4)CO)O)OC(=O)CC5=CC=C(C=C5)O)O

Isomeric SMILES

CC1=C2CC=C([C@@H]2[C@@H]3[C@@H](C[C@H]1O)C(=C)C(=O)O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)CC5=CC=C(C=C5)O)O

InChI

InChI=1S/C29H34O11/c1-13-18-8-5-16(23(18)26-19(10-20(13)32)14(2)28(36)40-26)12-37-29-25(35)27(24(34)21(11-30)38-29)39-22(33)9-15-3-6-17(31)7-4-15/h3-7,19-21,23-27,29-32,34-35H,2,8-12H2,1H3/t19-,20+,21+,23-,24+,25+,26-,27-,29+/m0/s1