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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26O12
Molecular Weight 578.5202
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROCYANIDIN B4, (-)-

SMILES

O[C@@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C5=CC=C(O)C(O)=C5)=C2O[C@@H]1C6=CC=C(O)C(O)=C6

InChI

InChIKey=XFZJEEAOWLFHDH-VUGKQVTMSA-N
InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1

HIDE SMILES / InChI

Approval Year