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CAS No.	英文名/中文名/SMILES	分子式	分子量
889852-02-2	Fosaprepitant Benzyl Ester 福沙匹坦相关杂质 CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)OCC4=CC=CC=C4)C5=CC=C(C=C5)F	C₃₀H₂₈F₇N₄O₆P	704.5
84638-44-8	10-Hydroxyoleuropein 10-Hydroxyoleuropein COC(=O)C1=COC(C(=CCO)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O	C₂₅H₃₂O₁₄	556.5
156823-94-8	(2R,3R,4S,5S,6R)-2-[[(1R,4aR,4bR,6'S,6aS,7R,8S,10aR,10bR,12aR)-7-hydroxy-6'-[(2S)-1-hydroxypropan-2-yl]-1,4a,10a,10b-tetramethyl-2'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysene-8,3'-oxane]-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 凤仙萜四醇苷 D CC(CO)C1CCC2(CCC3(C(C2O)CCC4C3(CCC5C4(CCCC5(C)COC6C(C(C(C(O6)CO)O)O)O)C)C)C)C(O1)OC7C(C(C(C(O7)CO)O)O)O	C₄₂H₇₂O₁₅	817.0
68622-73-1	(5R)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one (R)-5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)O)O	C₂₀H₂₄O₄	328.4
91794-14-8	Forestine Forestine CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)O)OC)OC)COC	C₃₃H₄₇NO₉	601.7
114892-57-8	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aS,6bR,10S,12aR,14bS)-6a,6b,9,9,12a-pentamethyl-2-methylidene-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 刺五加皂苷 D2 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(=C)CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)O)C)O)O)O)COC(=O)C)O)O)O	C₅₄H₈₄O₂₂	1085.2
114906-73-9	Ciwujianoside C1 刺五加皂苷 C1 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(=C)CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)O)C)O)O)O)CO)O)O)O	C₅₂H₈₂O₂₁	1043.2
114906-75-1	ciwujianoside C4 刺五加皂苷 C4 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)O)O)O)COC(=O)C)O)O)O	C₆₁H₉₈O₂₆	1247.4
114912-35-5	Ciwujianoside D1 刺五加皂苷 D1 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)O)C)(C)C)O)O)O)COC(=O)C)O)O)O	C₅₅H₈₈O₂₂	1101.3
117869-71-3	Gpc acetate 2-O-吡喃葡萄糖基葫芦素F-25-乙酸 CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O	C₃₈H₅₈O₁₃	722.9