59481-48-0 ((Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯,(3aR,4R,6R,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,11a-octahydro-6,9-epoxycyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate)

快速询单

结构式：

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯MOL文件

CAS号：

59481-48-0

中文名称：

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯

英文名称：

(3aR,4R,6R,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,11a-octahydro-6,9-epoxycyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate

分子式：

C₂₀H₂₂O₇

分子量：

374.384486675262

植物源：

假金目菊

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯(59481-48-0)名称与标识符

名称

中文别名：

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯;

英文别名：

(3aR,4R,6R,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,11a-octahydro-6,9-epoxycyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate;(Z)-2-Methyl-2-butenoic acid (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11a-octahydro-10-hydroxymethyl-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester;Lychnophorolide B;Lychnophorolide A;Budlein A;Centratherin;NSC374722;59481-48-0;NSC-374722;DTXSID201099066;CHEBI:3208;Q27105993;2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(Z),6R*,10Z,11aR))-;2-Butenoic acid, 2-methyl-, (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester, (2Z)-;BDBM50466117;[(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate;CHEMBL1173297;C09351;

标识符

InChIKey：

BMVJFNLJSZHNNS-ZXRHVTAXSA-N

Inchi：

1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1

SMILES：

O1C2=CC([C@@]1(C)C[C@H]([C@H]1C(=C)C(=O)O[C@@H]1C=C2CO)OC(/C(=C\C)/C)=O)=O |c:17|

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯(59481-48-0)物化性质

实验特性

PSA : 99.13

计算特性

精确分子量 : 374.13656
氢键供体数量 : 1
氢键受体数量 : 7
可旋转化学键数量 : 4
同位素质量 : 374.13655304g/mol
重原子数量 : 27
复杂度 : 816
同位素原子数量 : 0
确定原子立构中心数量 : 4
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 2
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） : 1.2
拓扑分子极性表面积 : 99.1Å²

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯(59481-48-0)相关文献

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960化工网为您提供(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯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.59481-48-0,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:59481-48-0 国际站:59481-48-0

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯(59481-48-0)名称与标识符

名称

标识符

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯(59481-48-0)物化性质

实验特性

计算特性

(Z)-2-甲基-2-丁烯酸 (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-八氢-10-羟基甲基-6-甲基-3-亚甲基-2,7-二氧代-6,9-环氧环癸并[b]呋喃-4-基酯(59481-48-0)相关文献

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