Cymarin

Product Specifications

CAS Number

508-77-0

Synonyms

Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-; Cymarin (6CI,7CI,8CI); (3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide; Alvonal MR; Cymarine; K-Strophanthin-α; NSC 7522; Strophantin K; WV 90043a; k-Strophanthin-α

Hazard Statement

No Data Available

Smiles

CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O

Molecular Formula

C30 H44 O9

Molecular Weight

548.66

InChI

InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1

Additionnal Information

IUPAC name: (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde