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益母草苷(Ajugol)

益母草苷, (1S,4aR,5R,7S,7aS)-5,7-Dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside, myoporoside, Leonuride, β-D-Glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl, (2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-{[(4aS,7S,7aR)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol, Ajugol

CAS号: 52949-83-4

IUPAC名称: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

分子式: C15H24O9

分子量: 348.346

InChI: InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1

InChIKey: VELYAQRXBJLJAK-XKKWFBPMSA-N

SMILES: C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

EINECS: -

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