956-82-1 Purity
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Specification
The molecular formula of Euscaphin B is C14H26O4.
The PubChem CID of Euscaphin B is 91885086.
The IUPAC name of Euscaphin B is (1S,3R,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-6-methoxy-1,5,5-trimethylcyclohexane-1,3-diol.
The InChI of Euscaphin B is InChI=1S/C14H26O4/c1-10(15)6-7-14(18-5)12(2,3)8-11(16)9-13(14,4)17/h6-7,10-11,15-17H,8-9H2,1-5H3/b7-6+/t10-,11-,13+,14+/m1/s1.
The InChIKey of Euscaphin B is UIQSLOCCENWDIG-UYJPZPQLSA-N.
The canonical SMILES of Euscaphin B is CC(C=CC1(C(CC(CC1(C)O)O)(C)C)OC)O.
The isomeric SMILES of Euscaphin B is C[C@H](/C=C/[C@]1([C@@](C[C@@H](CC1(C)C)O)(C)O)OC)O.
The molecular weight of Euscaphin B is 258.35 g/mol.
Euscaphin B has 3 hydrogen bond donor counts.
The topological polar surface area of Euscaphin B is 69.9?^2.