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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28O14
Molecular Weight 564.4921
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSCHAFTOSIDE

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C3OC(=CC(=O)C3=C(O)C([C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)=C2O)C5=CC=C(O)C=C5

InChI

InChIKey=OVMFOVNOXASTPA-VYUBKLCTSA-N
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H28O14
Molecular Weight 564.4921
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
H27X8715V3
Record Status Validated (UNII)
Record Version