Lithospermoside

Catalog Number	ACM63492693
CAS Number	63492-69-3
Synonyms	Griffonin
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
Molecular Weight	329.30
Molecular Formula	C14H19NO8
Canonical SMILES	C1=CC(=CC#N)C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O
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
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	526
Exact Mass	329.11106656
Heavy Atom Count	23
Isomeric SMILES	C1=C/C(=C/C#N)/[C@@H]([C@H]([C@@H]1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Monoisotopic Mass	329.11106656
Topological Polar Surface Area	164Ų

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