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(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-(2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-二羟基-6-(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))四氢-2H-吡喃-2-氧基))甲基)-3,4,5-三羟基四氢-2H-吡喃-2-基 10-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S,6S)-4-(((2S,3R,4R,5S,6R)-3,4-二羟基-6-(羟甲基)-5-(((2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-氧基))四氢-2H-吡喃-2-氧基))-3,5-二羟基-6-甲基四氢-2H-吡喃-2-氧基))-4,5-二羟基四氢-2H-吡喃-2-氧基))-2,2,6a,6b,9,9,12a-七甲基-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-二十氢苉-4a-甲酸酯

O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β)-3-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]olean-12-en-28-oate (ACI)

产品编号 : KL-0824401-072

Cas No. : 824401-07-2

标准英文名 : (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-(2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl 10-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S,6S)-4-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

分子式 : C₇₁H₁₁₆O₃₅

分子量 : 1,529.67

MDL No. :

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O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (3β)-3-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]olean-12-en-28-oate (ACI)

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基础信息

GHS
Smiles	C([C@]12CCC(C)(C)C[C@@]1([H])C1[C@]([C@@]3(CC[C@@]4([H])C([C@H](CC[C@]4(C)[C@@]3([H])CC=1)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](CO)O3)[C@H]1O)(C)C)C)(CC2)C)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](CO)O2)O1
Inchi	InChI=1S/C71H116O35/c1-26-38(76)43(81)48(86)59(95-26)102-54-32(22-73)98-58(51(89)46(54)84)94-25-34-42(80)45(83)50(88)62(100-34)106-65(92)71-18-16-66(3,4)20-29(71)28-10-11-36-68(7)14-13-37(67(5,6)35(68)12-15-70(36,9)69(28,8)17-19-71)101-64-57(40(78)30(75)24-93-64)105-63-53(91)56(39(77)27(2)96-63)104-61-52(90)47(85)55(33(23-74)99-61)103-60-49(87)44(82)41(79)31(21-72)97-60/h10,26-27,29-64,72-91H,11-25H2,1-9H3/t26-,27-,29-,30-,31+,32+,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-,62-,63-,64-,68-,69+,70+,71-/m0/s1
InchiKey	XZFIPOYZFWNNHZ-UBRSMZKVSA-N
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