(3E,5R,8S,9E,13S,14R)-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,9,13,14-tetramethyl-5-oxidanyl-1-oxacyclotetradeca-3,9-dien-2-one

Systemtic Name: (3E,5R,8S,9E,13S,14R)-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,9,13,14-tetramethyl-5-oxidanyl-1-oxacyclotetradeca-3,9-dien-2-one Openeye Name: (3E,5R,8S,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-oxacyclotetradeca-3,9-dien-2-one CAS Name: (3E,5R,8S,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxacyclotetradeca-3,9-dien-2-one IUPAC Name: (3E,5R,8S,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetradeca-3,9-dien-2-one Traditional Name: (3E,5R,8S,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-oxacyclotetradeca-3,9-dien-2-one Formula: C23H38O9 MolecularWeight: 458.54242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C(C(CCC(C=CC(=O)OC1C)(C)O)OC2C(C(C(C(O2)CO)O)O)O)C

Isomeric SMILES

C[C@H]1CC/C=C(/[C@H](CC[C@@](/C=C/C(=O)O[C@@H]1C)(C)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)\C

InChI

InChI=1S/C23H38O9/c1-13-6-5-7-14(2)16(8-10-23(4,29)11-9-18(25)30-15(13)3)31-22-21(28)20(27)19(26)17(12-24)32-22/h7,9,11,13,15-17,19-22,24,26-29H,5-6,8,10,12H2,1-4H3/b11-9+,14-7+/t13-,15+,16-,17+,19+,20-,21+,22-,23+/m0/s1