Chemical Component Summary

Name(4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID
Identifiers(4R,6R,7S)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid
FormulaC14 H18 O5 S
Molecular Weight298.355
TypeNON-POLYMER
Isomeric SMILESc1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3
InChIInChI=1S/C14H18O5S/c15-10-6-14(19,13(17)18)9-5-8(4-3-7-1-2-7)20-12(9)11(10)16/h5,7,10-11,15-16,19H,1-4,6H2,(H,17,18)/t10-,11+,14-/m1/s1
InChIKeyZGKGERUMGXJOHU-UHIISALHSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count3
Bond Count40
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 46241113