78012-26-7 ((Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester,(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester)

结构式：

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] esterMOL文件

CAS号：

78012-26-7

中文名称：

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester

英文名称：

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester

分子式：

C₂₀H₂₆O₅

分子量：

346.417446613312

植物源：

柄花菊柄花菊

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester(78012-26-7)名称与标识符

名称

中文别名：

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester;

英文别名：

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester;Arturin;2-Butenoic acid, 2-methyl-, (3aR,4R,5aR,6R,9aS,9bR)-dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester, (2Z)-;[3aR-[3aalpha,4beta(Z),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid;[3aR-[3aalpha,4alpha(Z),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid;

标识符

InChIKey：

FDDKULNHLFGRDK-CFWFXLRTSA-N

Inchi：

1S/C20H26O5/c1-6-10(2)18(22)24-13-9-20(5)14(21)8-7-11(3)16(20)17-15(13)12(4)19(23)25-17/h6,13-17,21H,3-4,7-9H2,1-2,5H3/b10-6-/t13-,14-,15-,16-,17+,20+/m1/s1

SMILES：

C(O[C@H]1[C@@]2([H])C(=C)C(=O)O[C@]2([H])[C@]2([H])[C@](C)([C@H](O)CCC2=C)C1)(=O)/C(/C)=C\C

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester(78012-26-7)物化性质

计算特性

精确分子量 : 346.178
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 3
同位素质量 : 346.178
重原子数量 : 25
复杂度 : 676
同位素原子数量 : 0
确定原子立构中心数量 : 6
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.092
拓扑分子极性表面积 : 72.8A^2

81059-04-3(3-[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid) 81882-18-0(1-benzofuran-2-ylmethanamine;hydrochloride) 81720-06-1([(1aS,1bα,5aα,6aβ)-2α-(β-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6α-yl]α-D-galactopyranoside) 81840-57-5(（1E）-1-（4-羟基-3-甲氧基苯基）-7-苯基庚-1-烯-3-酮) 819058-89-4(4-(4-氨基苯基)-1H-吲唑-3-胺) 81964-65-0(1-乙酰基-5-溴-1H-吲哚-2,3-二酮) 819-52-3(氯磺酸正丙酯) 81998-03-0(4,4'-二甲基-2,2'-联吡啶1-氧化物)

960化工网为您提供(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.78012-26-7,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:78012-26-7 国际站:78012-26-7

78012-26-7 ((Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester,(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester)

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester(78012-26-7)名称与标识符

名称

标识符

(Z)-2-Methyl-2-butenoic acid [(3aR,4R,9aS,9bR)-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl] ester(78012-26-7)物化性质

计算特性

目录