2-((1R,3aR,5aR,5bR,7aS,10R,10aR,10bR,12R,12aS,12bR)-7a-((((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-氧基))羰基)-12-羟基-3,3,5a,5b,12b-五甲基-10-(丙-1-烯-2-基)八十氢-1H-环戊烷并[7,8]菲并[1,2-c]呋喃-1-基)乙酸

(3β,4α,5β,5′β,6β,8α,9β,10α,13α,14β,15β)-18-[(O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]tetrahydro-6-hydroxy-2′,2′,4,9-tetramethyl-15-(1-methylethenyl)-18-oxoandrostano[3,4-c]furan-5′-acetic acid (ACI)

产品编号 : KL-0105591-353

Cas No. : 105591-35-3

标准英文名 : 2-((1R,3aR,5aR,5bR,7aS,10R,10aR,10bR,12R,12aS,12bR)-7a-((((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)oxy)carbonyl)-12-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydro-1H-cyclopenta[7,8]phenanthro[1,2-c]furan-1-yl)acetic acid

分子式 : C₄₈H₇₆O₂₀

分子量 : 973.12

MDL No. :

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(3β,4α,5β,5′β,6β,8α,9β,10α,13α,14β,15β)-18-[(O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]tetrahydro-6-hydroxy-2′,2′,4,9-tetramethyl-15-(1-methylethenyl)-18-oxoandrostano[3,4-c]furan-5′-acetic acid (ACI)

GHS
Smiles	C([C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@@]1([H])C[C@@H](O)[C@]3([H])[C@]4([C@@H](CC(=O)O)OC(C)(C)[C@]4([H])CC[C@@]3(C)[C@@]1(CC2)C)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/C48H76O20/c1-19(2)21-9-12-48(14-13-45(6)22(29(21)48)15-23(50)39-46(45,7)11-10-26-44(4,5)68-27(16-28(51)52)47(26,39)8)43(61)67-42-36(59)33(56)31(54)25(65-42)18-62-40-37(60)34(57)38(24(17-49)64-40)66-41-35(58)32(55)30(53)20(3)63-41/h20-27,29-42,49-50,53-60H,1,9-18H2,2-8H3,(H,51,52)/t20-,21-,22+,23+,24+,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39-,40+,41-,42-,45+,46+,47+,48-/m0/s1
InchiKey	DEXFQQWSJHKUIA-VELBUPAJSA-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@]12CC[C@@H](C(=C)C)[C@]1([H])[C@@]1([H])C[C@@H](O)[C@]3([H])[C@]4([C@@H](CC(=O)O)OC(C)(C)[C@]4([H])CC[C@@]3(C)[C@@]1(CC2)C)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/C48H76O20/c1-19(2)21-9-12-48(14-13-45(6)22(29(21)48)15-23(50)39-46(45,7)11-10-26-44(4,5)68-27(16-28(51)52)47(26,39)8)43(61)67-42-36(59)33(56)31(54)25(65-42)18-62-40-37(60)34(57)38(24(17-49)64-40)66-41-35(58)32(55)30(53)20(3)63-41/h20-27,29-42,49-50,53-60H,1,9-18H2,2-8H3,(H,51,52)/t20-,21-,22+,23+,24+,25+,26-,27+,29+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39-,40+,41-,42-,45+,46+,47+,48-/m0/s1

InchiKey

DEXFQQWSJHKUIA-VELBUPAJSA-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