(3S,4S,5S,6S)-6-[[(2E,11S)-11-methyl-15-oxidanyl-7,13-bis(oxidanylidene)-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-17-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (3S,4S,5S,6S)-6-[[(2E,11S)-11-methyl-15-oxidanyl-7,13-bis(oxidanylidene)-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-17-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2E,11S)-15-hydroxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-17-yl]oxy]tetrahydropyran-2-carboxylic acid CAS Name: (3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2E,11S)-15-hydroxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-17-yl]oxy]-2-oxanecarboxylic acid IUPAC Name: (3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2E,11S)-15-hydroxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-17-yl]oxy]oxane-2-carboxylic acid Traditional Name: (3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2E,11S)-15-hydroxy-7,13-diketo-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-17-yl]oxy]tetrahydropyran-2-carboxylic acid Formula: C24H30O11 MolecularWeight: 494.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)OC3C(C(C(C(O3)C(=O)O)O)O)O

Isomeric SMILES

C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O[C@H]3[C@H]([C@H]([C@@H](C(O3)C(=O)O)O)O)O

InChI

InChI=1S/C24H30O11/c1-12-6-5-9-14(25)8-4-2-3-7-13-10-15(11-16(26)17(13)23(32)33-12)34-24-20(29)18(27)19(28)21(35-24)22(30)31/h3,7,10-12,18-21,24,26-29H,2,4-6,8-9H2,1H3,(H,30,31)/b7-3+/t12-,18-,19-,20-,21?,24+/m0/s1