(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5S,6R)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4S,5R)-3,5-二羟基-4-(((2S,3R,4S,5R)-3,4,5-三羟基四氢-2H-吡喃-2-氧基))四氢-2H-吡喃-2-氧基))-3,4-二羟基-6-甲基四氢-2H-吡喃-2-氧基))-5-羟基-6-甲基-4-(((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))羰基)-4-醛基-4,6a,6b,11,11,14b-六甲基-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-二十氢picen-3-氧基))-3,4-二羟基-5-(((2S,3R,4S,5R,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-甲酸

(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid (ACI)

产品编号 : KL-0333333-236

Cas No. : 333333-23-6

标准英文名 : (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5S,6R)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4S,5R)-3,5-dihydroxy-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-methyl-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4-dihydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

分子式 : C₇₀H₁₁₀O₃₅

分子量 : 1,511.61

MDL No. :

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(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid (ACI)

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]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)(C)C=O)C)(CC2)C)(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O
Inchi	InChI=1S/C70H110O35/c1-25-36(75)40(79)46(85)59(94-25)101-52-37(76)26(2)95-63(55(52)104-60-48(87)44(83)50(27(3)96-60)99-58-49(88)51(31(74)23-93-58)100-57-45(84)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-62-54(43(82)42(81)53(102-62)56(89)90)103-61-47(86)41(80)39(78)32(21-71)97-61/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90)/t25-,26+,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+,57-,58-,59-,60-,61-,62+,63-,66-,67-,68+,69+,70-/m0/s1
InchiKey	IVYQSEVUVAENJB-GTOJXEJNSA-N
别名
性状
存储条件
熔点
闪点
化学稳定性
沸点
密度
海关编码
手性
生物活性
理化性质
UN No.
特性
用途
蒸气压
运输要求
品牌

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]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)(C)C=O)C)(CC2)C)(=O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O

Inchi

InChI=1S/C70H110O35/c1-25-36(75)40(79)46(85)59(94-25)101-52-37(76)26(2)95-63(55(52)104-60-48(87)44(83)50(27(3)96-60)99-58-49(88)51(31(74)23-93-58)100-57-45(84)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-62-54(43(82)42(81)53(102-62)56(89)90)103-61-47(86)41(80)39(78)32(21-71)97-61/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90)/t25-,26+,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+,57-,58-,59-,60-,61-,62+,63-,66-,67-,68+,69+,70-/m0/s1

InchiKey

IVYQSEVUVAENJB-GTOJXEJNSA-N

别名

性状

存储条件

熔点

闪点

化学稳定性

沸点

密度

海关编码

手性

生物活性

理化性质

UN No.

特性

用途

蒸气压

运输要求

品牌

危险类别码
信号词
水溶解性
危险品分类
安全说明
存储要求
危险品标志
有害分解物

危险类别码

信号词

水溶解性

危险品分类

安全说明

存储要求

危险品标志

有害分解物

(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid (ACI)

创新化学，赋能未来