Catalog Number:
AG003RCE
Chemical Name:
Lithospermoside
CAS Number:
63492-69-3
Molecular Formula:
C14H19NO8
Molecular Weight:
329.3026
MDL Number:
MFCD20527295
IUPAC Name:
(2Z)-2-[(4R,5S,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
InChI:
InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1
InChI Key:
WIIDBJNWXCWLKF-VVAXPEBGSA-N
SMILES:
N#C/C=C\1/C=C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
