(2R,3S)-2-[2-methyl-5-(6-methyl-2-oxidanyl-hept-5-en-2-yl)oxolan-2-yl]-3-oxidanyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

Systemtic Name: (2R,3S)-2-[2-methyl-5-(6-methyl-2-oxidanyl-hept-5-en-2-yl)oxolan-2-yl]-3-oxidanyl-2,3-dihydro-1-benzofuran-5-carboxylic acid Openeye Name: (2R,3S)-3-hydroxy-2-[5-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-2-methyl-tetrahydrofuran-2-yl]-2,3-dihydrobenzofuran-5-carboxylic acid CAS Name: (2R,3S)-3-hydroxy-2-[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyl-2-oxolanyl]-2,3-dihydrobenzofuran-5-carboxylic acid IUPAC Name: (2R,3S)-3-hydroxy-2-[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid Traditional Name: (2R,3S)-3-hydroxy-2-[5-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-2-methyl-tetrahydrofuran-2-yl]coumaran-5-carboxylic acid Formula: C22H30O6 MolecularWeight: 390.47

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C1CCC(O1)(C)C2C(C3=C(O2)C=CC(=C3)C(=O)O)O)O)C

Isomeric SMILES

CC(=CCCC(C)(C1CCC(O1)(C)[C@H]2[C@H](C3=C(O2)C=CC(=C3)C(=O)O)O)O)C

InChI

InChI=1S/C22H30O6/c1-13(2)6-5-10-21(3,26)17-9-11-22(4,28-17)19-18(23)15-12-14(20(24)25)7-8-16(15)27-19/h6-8,12,17-19,23,26H,5,9-11H2,1-4H3,(H,24,25)/t17?,18-,19+,21?,22?/m0/s1