(1S,7R,7aS)-5-[[(1R,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-1,7a-dimethyl-7-oxidanyl-1-[(2R)-4-oxidanyl-4-oxidanylidene-butan-2-yl]-6,7-dihydro-2H-indene-4-carboxylic acid

Systemtic Name: (1S,7R,7aS)-5-[[(1R,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-1,7a-dimethyl-7-oxidanyl-1-[(2R)-4-oxidanyl-4-oxidanylidene-butan-2-yl]-6,7-dihydro-2H-indene-4-carboxylic acid Openeye Name: (1S,7R,7aS)-5-[[(1R,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1-[(1R)-3-hydroxy-1-methyl-3-oxo-propyl]-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid CAS Name: (1S,7R,7aS)-5-[[(1R,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1-[(2R)-4-hydroxy-4-oxobutan-2-yl]-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid IUPAC Name: (1S,7R,7aS)-5-[[(1R,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1-[(2R)-4-hydroxy-4-oxobutan-2-yl]-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid Traditional Name: (1S,7R,7aS)-5-[[(1R,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1-[(1R)-3-hydroxy-3-keto-1-methyl-propyl]-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid Formula: C25H36O6 MolecularWeight: 432.54974

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C1(CC=C2C1(C(CC(=C2C(=O)O)CC34CCC(O3)C(C4)(C)C)O)C)C

Isomeric SMILES

C[C@H](CC(=O)O)[C@@]1(CC=C2[C@]1([C@@H](CC(=C2C(=O)O)C[C@]34CC[C@@H](O3)C(C4)(C)C)O)C)C

InChI

InChI=1S/C25H36O6/c1-14(10-19(27)28)23(4)8-6-16-20(21(29)30)15(11-17(26)24(16,23)5)12-25-9-7-18(31-25)22(2,3)13-25/h6,14,17-18,26H,7-13H2,1-5H3,(H,27,28)(H,29,30)/t14-,17-,18-,23+,24+,25+/m1/s1