Validamycin C

Analyte Name

Validamycin C

CAS Number

12650-70-3

Molecular Formula

C26 H45 N O18

Molecular Weight

659.631

Accurate Mass

659.264

SMILES

OC[C@H]1C[C@H](NC2C=C(CO[C@H]3O[C@H](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[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChI=1S/C26H45NO18/c28-3-7-1-9(15(33)21(39)24(7)45-26-23(41)20(38)17(35)12(5-30)44-26)27-10-2-8(13(31)18(36)14(10)32)6-42-25-22(40)19(37)16(34)11(4-29)43-25/h2,7,9-41H,1,3-6H2/t7-,9+,10?,11-,12-,13-,14+,15+,16-,17-,18+,19+,20+,21-,22-,23-,24-,25+,26+/m1/s1

IUPAC

(2S,3R,4S,5S,6R)-2-[[(4S,5S,6R)-3-[[(1S,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat