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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22O12
Molecular Weight 478.4029
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CACTICIN

SMILES

COC1=C(O)C=CC(=C1)C2=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O2)C=C(O)C=C4O

InChI

InChIKey=CQLRUIIRRZYHHS-UVHBULKNSA-N
InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22O12
Molecular Weight 478.4029
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
12KOU8P94F
Record Status Validated (UNII)
Record Version