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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O14
Molecular Weight 594.5612
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PONCIRIN

SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O

InChI

InChIKey=NLAWPKPYBMEWIR-SKYQDXIQSA-N
InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H34O14
Molecular Weight 594.5612
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8MUY4P95B4
Record Status Validated (UNII)
Record Version