87414-45-7 (2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester,2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester)

结构式：

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl esterMOL文件

CAS号：

87414-45-7

中文名称：

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester

英文名称：

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester

分子式：

C₂₄H₂₄O₈

分子量：

440.442567825317

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester(87414-45-7)名称与标识符

名称

中文别名：

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester;

英文别名：

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester;DTXSID501316322;87414-45-7;CHEMBL4287772;Butyrolactone III;

标识符

InChIKey：

FWHAYHIGJSFGKO-UHFFFAOYSA-N

Inchi：

1S/C24H24O8/c1-23(2)18(31-23)11-15-10-13(4-9-17(15)26)12-24(22(29)30-3)19(20(27)21(28)32-24)14-5-7-16(25)8-6-14/h4-10,18,25-27H,11-12H2,1-3H3

SMILES：

COC(C1(C(C2C=CC(O)=CC=2)=C(O)C(=O)O1)CC1C=C(CC2C(C)(C)O2)C(O)=CC=1)=O

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester(87414-45-7)物化性质

计算特性

精确分子量 : 440.14711772Da
氢键供体数量 : 3
氢键受体数量 : 8
可旋转化学键数量 : 7
同位素质量 : 440.14711772Da
重原子数量 : 32
复杂度 : 781
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 : 1
确定化学键立构中心数量 : 0
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） : 3
拓扑分子极性表面积 : 126Å²

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester(87414-45-7)相关文献

1. α-Hydroxymethylation of γ- and δ-lactones: a new synthesis of α-methylene-γ-butyrolactones
Paul A. Grieco,Kunio Hiroi J. Chem. Soc. Chem. Commun. 1972 1317
2. Reductive and oxidative cleavage of 5-phenyl-Δ2-isoxazoline-3-carboxylic acid
G. S. King,P. D. Magnus,H. S. Rzepa J. Chem. Soc. Perkin Trans. 1 1972 437
3. Extracting value: mechanistic insights into the formation of natural product artifacts – case studies in marine natural products
Robert J. Capon Nat. Prod. Rep. 2020 37 55
4. Bioactive natural products derived from mangrove-associated microbes
Jing Xu RSC Adv. 2015 5 841
5. Recent updates on the bioactive compounds of the marine-derived genus Aspergillus
Raha Orfali,Mahmoud A. Aboseada,Nada M. Abdel-Wahab,Hossam M. Hassan,Shagufta Perveen,Fuad Ameen,Eman Alturki,Usama Ramadan Abdelmohsen RSC Adv. 2021 11 17116
6. Metal-catalyzed reductive deamination of glutamic acid to bio-based dimethyl glutarate and methylamines
Free De Schouwer,Thomas Cuypers,Laurens Claes,Dirk E. De Vos Green Chem. 2017 19 1866

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960化工网为您提供2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl 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.87414-45-7,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:87414-45-7 国际站:87414-45-7

87414-45-7 (2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester,2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester)

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester(87414-45-7)名称与标识符

名称

标识符

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester(87414-45-7)物化性质

计算特性

2,5-Dihydro-2-[3-(3,3-dimethyloxiranylmethyl)-4-hydroxybenzyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester(87414-45-7)相关文献

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