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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 B2, (+)-

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC=C(O)C(O)=C3)C([C@@H]4[C@@H](O)[C@H](OC5=C4C(O)=CC(O)=C5)C6=CC(O)=C(O)C=C6)=C(O)C=C2O

InChI

InChIKey=XFZJEEAOWLFHDH-NFJBMHMQSA-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

Molecular Formula C30H26O12
Molecular Weight 578.5202
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
L88HKE854X
Record Status Validated (UNII)
Record Version