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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O16
Molecular Weight 610.5175
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEONOSIDE

SMILES

OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O3)C5=CC=C(O)C=C5)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=XFFQVRFGLSBFON-DEFKTLOSSA-N
InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H30O16
Molecular Weight 610.5175
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1SL009I82F
Record Status Validated (UNII)
Record Version