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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO8
Molecular Weight 449.4941
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of THESININE-4'-O-.BETA.-D-GLUCOSIDE

SMILES

OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@@H]3CCN4CCC[C@H]34)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=VRWXOVDCMDXQDO-VDEBYVOPSA-N
InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2/b8-5+/t15-,17+,18+,20+,21-,22+,23+/m0/s1

HIDE SMILES / InChI

Approval Year