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(2S,2'S,3R,3'R,4S,4'S,5R,5'R)-2,2'-(((2S,3R,4S,5R,6R)-5-羟基-2-(((2R,3R,4S,5R,6R)-4-羟基-2-(羟甲基)-5-(((2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基四氢-2H-吡喃-2-氧基))-6-(((2aS,4S,6aS,6bS,8aS,8bS,11aS,12aS,12bR)-6a,8a,9-三甲基-10-((R)-3-甲基-4-(((2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-氧基))丁基)-2,2a,3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-十六氢-1H-萘并[2',1':4,5]茚[2,1-b]呋喃-4-氧基))四氢-2H-吡喃-3-氧基))-6-(羟甲基)四氢-2H-吡喃-3,4-二基)双(氧基))双(四氢-2H-吡喃-3,4,5-三醇)

(3β,5α,25R)-26-(β-D-Glucopyranosyloxy)furost-20(22)-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→2)]-β-D-glucopyranoside (ACI)

产品编号 : KL-1253285-174

Cas No. : 1253285-17-4

标准英文名 : (2S,2'S,3R,3'R,4S,4'S,5R,5'R)-2,2'-(((2S,3R,4S,5R,6R)-5-hydroxy-2-(((2R,3R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-(((2aS,4S,6aS,6bS,8aS,8bS,11aS,12aS,12bR)-6a,8a,9-trimethyl-10-((R)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-2,2a,3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diyl)bis(oxy))bis(tetrahydro-2H-pyran-3,4,5-triol)

分子式 : C₆₁H₁₀₀O₃₀

分子量 : 1,313.44

MDL No. :

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(3β,5α,25R)-26-(β-D-Glucopyranosyloxy)furost-20(22)-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→2)]-β-D-glucopyranoside (ACI)

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基础信息

GHS
Smiles	C[C@@]12[C@@]3([H])C(=C(O[C@@]3([H])C[C@@]1([H])[C@]1([H])CC[C@@]3([H])C[C@H](CC[C@]3(C)[C@@]1([H])CC2)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)CC[C@@H](C)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C
Inchi	InChI=1S/C61H100O30/c1-22(19-79-54-47(76)44(73)41(70)34(16-62)85-54)6-9-32-23(2)37-33(84-32)15-29-27-8-7-25-14-26(10-12-60(25,4)28(27)11-13-61(29,37)5)83-58-52(90-57-48(77)43(72)38(67)24(3)82-57)49(78)50(36(18-64)87-58)88-59-53(91-56-46(75)40(69)31(66)21-81-56)51(42(71)35(17-63)86-59)89-55-45(74)39(68)30(65)20-80-55/h22,24-31,33-59,62-78H,6-21H2,1-5H3/t22-,24+,25+,26+,27-,28+,29+,30-,31-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52-,53-,54-,55+,56+,57+,58-,59+,60+,61+/m1/s1
InchiKey	CNGHCVZOTCCMMB-YVRHDIGYSA-N
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