3,5-己二烯酸，6-[（3S）-3,4-二氢-4,4-二甲基-3-[（3-甲基-2-丁烯-1-基）氧基]-2H-1,5-苯并二氧杂环庚-7-基]-2-（甲氧基亚甲基）-3-甲基-，甲酯，（2E，3Z，5E）- | 132056-04-3
中文名称：
3,5-己二烯酸，6-[（3S）-3,4-二氢-4,4-二甲基-3-[（3-甲基-2-丁烯-1-基）氧基]-2H-1,5-苯并二氧杂环庚-7-基]-2-（甲氧基亚甲基）-3-甲基-，甲酯，（2E，3Z，5E）-
英文名称：
3,5-Hexadienoic acid,6-[(3S)-3,4-dihydro-4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-2H-1,5-benzodioxepin-7-yl]-2-(methoxymethylene)-3-methyl-,methyl ester, (2E,3Z,5E)-
CAS No.：
132056-04-3
分子式：
C2 6 H3 4 O6
分子量：
442.54456
名称和标识符
InChIKey
CGBAOGDKJZIWTF-BDONDIIXSA-N
Inchi
InChI=1S/C26H34O6/c1-18(2)13-14-30-24-17-31-22-12-11-20(15-23(22)32-26(24,4)5)10-8-9-19(3)21(16-28-6)25(27)29-7/h8-13,15-16,24H,14,17H2,1-7H3/b10-8+,19-9-,21-16+/t24-/m0/s1
SMILES
CO/C=C(\C(=C/C=C/C1C=CC2OC[C@@H](C(OC=2C=1)(C)C)OC/C=C(\C)/C)\C)/C(OC)=O
别名信息
- 英文别名 -
3,5-Hexadienoic acid,6-[(3S)-3,4-dihydro-4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-2H-1,5-benzodioxepin-7-yl]-2-(methoxymethylene)-3-methyl-,methyl ester, (2E,3Z,5E)-
3,5-Hexadienoic acid,6-[(3S)-3,4-dihydro-4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-2H-1,5-be...
3,5-Hexadienoic acid,6-[(3S)-3,4-dihydro-4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-2H-1,5-benzodioxepin-7-yl]-2-(methoxymet
methyl (2E,3E,5Z)-6-[3-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
Strobilurin D
3,5-Hexadienoic acid, 6-(3-((3,3-dimethyloxiranyl)methoxy)-4-((3-methyl-2-butenyl)oxy)phenyl)-2-(methoxymethylene)-3-methyl-, methyl ester, (S-(E,Z,E))-
methyl (2E,3E,5Z)-6-(3-{[(2S)-3,3-dimethyloxiran-2-yl]methoxy}-4-[(3-methylbut-2-en-1-yl)oxy]phenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
(2E,3Z,5E)-2-Methoxymethylene-3-methyl-6-[4-[(3-methyl-2-butenyl)oxy]-3-[[(S)-3,3-dimethyloxirane-2β-yl]methoxy]phenyl]-3,5-hexadienoic acid methyl ester
Methyl (2E,3Z,5E)-6-[4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
49G3784VEO
Strobilurin G
STROBILURIN D, (+)-
CHEMBL4636674
STROBILURIN G, (+)-
132056-04-3
CHEBI:224636
3,5-HEXADIENOIC ACID, 6-((3S)-3,4-DIHYDRO-4,4-DIMETHYL-3-((3-METHYL-2-BUTENYL)OXY)-2H-1,5-BENZODIOXEPIN-7-YL)-2-(METHOXYMETHYLENE)-3-METHYL-, METHYL ESTER, (2E,3Z,5E)-
Q27259280
UNII-49G3784VEO
methyl (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
3,5-Hexadienoic acid, 6-(3,4-dihydro-4,4-dimethyl-3-((3-methyl-2-butenyl)oxy)-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethylene)-3-methyl-, methyl ester
129145-64-8
AKOS030213223
物化性质
实验特性
计算特性
精确分子量
442.23562
氢键供体数量
0
氢键受体数量
6
可旋转化学键数量
9
同位素质量
442.23553880g/mol
重原子数量
32
复杂度
741
同位素原子数量
0
确定原子立构中心数量
1
不确定原子立构中心数量
0
确定化学键立构中心数量
3
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）
5.6
拓扑分子极性表面积
63.2Ų
相关文献
1.
Investigations into the biosynthesis of the antifungal strobilurins
Zafar Iqbal,Li-Chen Han,Anna M. Soares-Sello,Risa Nofiani,Gerald Thormann,Axel Zeeck,Russell J. Cox,Christine L. Willis,Thomas J. Simpson Org. Biomol. Chem. 2018 16 5524
2.
The strobilurins, oudemansins, and myxothiazols, fungicidal derivatives of β-methoxyacrylic acid
J. M. Clough Nat. Prod. Rep. 1993 10 565
3.
Natural compounds of the strobilurin series and their synthetic analogues as cell respiration inhibitors Vladimir V. Zakharychev,Leonid V. Kovalenko Russ. Chem. Rev. 1998 67 535
4.
Index pages Nat. Prod. Rep. 1993 10 I1
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![3,5-己二烯酸，6-[（3S）-3,4-二氢-4,4-二甲基-3-[（3-甲基-2-丁烯-1-基）氧基]-2H-1,5-苯并二氧杂环庚-7-基]-2-（甲氧基亚甲基）-3-甲基-，甲酯，（2E，3Z，5E）-结构式图片|132056-04-3结构式图片](https://scimg.chem960.com/cas/150/132056-04-3.png?t=638488735466958441)
