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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H24O12
Molecular Weight 576.5044
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROCYANIDIN A1

SMILES

[H][C@@]12[C@@H](O)[C@@](OC3=C1C(O)=CC(O)=C3)(OC4=C2C5=C(C[C@H](O)[C@H](O5)C6=CC(O)=C(O)C=C6)C(O)=C4)C7=CC(O)=C(O)C=C7

InChI

InChIKey=NSEWTSAADLNHNH-TXZJYACMSA-N
InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H24O12
Molecular Weight 576.5044
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
LX492GRN5W
Record Status Validated (UNII)
Record Version