Catalog |
BBC90685260 |
CAS |
90685-26-0 |
Synonyms |
2-Carbomethoxy-3-prenyl-1,4-naphthohydroquinone-di-O-β-D-glucoside |
IUPAC Name |
methyl 3-(3-methylbut-2-enyl)-1,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]naphthalene-2-carboxylate |
Molecular Weight |
610.6 |
Molecular Formula |
C29H38O14 |
Canonical SMILES |
CC(=CCC1=C(C2=CC=CC=C2C(=C1C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C |
InChI |
InChI=1S/C29H38O14/c1-12(2)8-9-15-18(27(38)39-3)26(43-29-24(37)22(35)20(33)17(11-31)41-29)14-7-5-4-6-13(14)25(15)42-28-23(36)21(34)19(32)16(10-30)40-28/h4-8,16-17,19-24,28-37H,9-11H2,1-3H3/t16-,17-,19-,20-,21+,22+,23-,24-,28+,29+/m1/s1 |
InChI Key |
OZDABLANSWPSGY-GIQZDESDSA-N |
Purity |
98% |
Appearance |
Solid |
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