Analyte Name

Validamycin D

CAS Number

12650-67-8

Molecular Formula

C20 H35 N O13

Molecular Weight

497.491

Accurate Mass

497.211

SMILES

OC[C@H]1O[C@H](OC[C@H]2C[C@H](N[C@H]3C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C20H35NO13/c22-3-6-1-8(13(26)16(29)11(6)24)21-9-2-7(12(25)17(30)14(9)27)5-33-20-19(32)18(31)15(28)10(4-23)34-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12-,13+,14+,15-,16+,17+,18+,19-,20+/m1/s1

IUPAC

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]methoxy]oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat