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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31O15.Cl
Molecular Weight 630.979
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PELARGONIN

SMILES

[Cl-].OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=DIRROHKULXIUCB-DHJOXOLYSA-N
InChI=1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

HIDE SMILES / InChI

Approval Year