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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H38O18
Molecular Weight 866.7724
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROCYANIDIN C1

SMILES

O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C5C(O)=CC(O)=C6)C7=CC(O)=C(O)C=C7)C(O)=CC(O)=C34)C8=CC(O)=C(O)C=C8)=C2O[C@@H]1C9=CC(O)=C(O)C=C9

InChI

InChIKey=MOJZMWJRUKIQGL-XILRTYJMSA-N
InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed