80558-54-9 (((E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid)

结构式：

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acidMOL文件

CAS号：

80558-54-9

英文名称：

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid

分子式：

C₂₆H₄₄O₉

分子量：

500.622

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid(80558-54-9)名称与标识符

名称

英文别名：

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid;bactroban;BACTROBAN.(R).;Mupirocin;pseudomonic acid;pseudomonic acid A;[16,17-14C2]pseudomonic acid A;

标识符

InChIKey：

MINDHVHHQZYEEK-HBBNESRFSA-N

Inchi：

InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1

SMILES：

C/C(=C\C(=O)OCCCCCCCCC(=O)O)/C[C@H]1[C@@H]([C@@H]([C@@H](C[C@H]2[C@H]([C@@H](C)[C@H](C)O)O2)CO1)O)O

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid(80558-54-9)物化性质

计算特性

氢键供体数量 : 4
氢键受体数量 : 9
可旋转化学键数量 : 17
重原子数量 : 35

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid(80558-54-9)相关文献

1. Scalable, efficient total synthesis of (+)-mupirocin H
Changgui Zhao,Ziyun Yuan,Yuanyuan Zhang,Bin Ma,Huilin Li,Shouchu Tang,Xingang Xie,Xuegong She Org. Chem. Front. 2014 1 105
2. Biosynthesis of polyketides by trans-AT polyketide synthases
Eric J. N. Helfrich,J?rn Piel Nat. Prod. Rep. 2016 33 231
3. Mupirocin W, a novel pseudomonic acid produced by targeted mutation of the mupirocin biosynthetic gene cluster
Sian M. Cooper,Russell J. Cox,John Crosby,Matthew P. Crump,Joanne Hothersall,Wanpen Laosripaiboon,Thomas J. Simpson,Christopher M. Thomas Chem. Commun. 2005 1179
4. Mixing and matching genes of marine and terrestrial origin in the biosynthesis of the mupirocin antibiotics
Luoyi Wang,Zhongshu Song,Paul R. Race,James Spencer,Thomas J. Simpson,Matthew P. Crump,Christine L. Willis Chem. Sci. 2020 11 5221
5. Genomics of secondary metabolite production by Pseudomonas spp.
Harald Gross,Joyce E. Loper Nat. Prod. Rep. 2009 26 1408
6. An expedient total synthesis of mupirocin H
P. Srihari,N. Hari Krishna,Y. Sridhar,A. Krishnam Raju,Ahmed Kamal RSC Adv. 2014 4 37629
7. A unified strategy for the synthesis of the C1–C14 fragment of marinolic acids, mupirocins, pseudomonic acids and thiomarinols: total synthesis of pseudomonic acid methyl monate C
Y. Sridhar,P. Srihari Org. Biomol. Chem. 2014 12 2950
8. Biosynthetic studies on pseudomonic acid (mupirocin), a novel antibiotic metabolite of Pseudomonas fluorescens
Fionna M. Martin,Thomas J. Simpson J. Chem. Soc. Perkin Trans. 1 1989 207
9. Biosynthetic studies on pseudomonic acid (mupirocin), a novel antibiotic metabolite of Pseudomonas fluorescens
Fionna M. Martin,Thomas J. Simpson J. Chem. Soc. Perkin Trans. 1 1989 207
10. Antibiotics from Gram-negative bacteria: a comprehensive overview and selected biosynthetic highlights
J. Masschelein,M. Jenner,G. L. Challis Nat. Prod. Rep. 2017 34 712

78861-31-1(1,4-丁二醇，1-（4-甲基苯基）-) 78930-16-2(4-羟基-4-苯氧基苯甲酮) 78946-25-5(3-溴-4-(溴甲基)苯甲酸甲酯) 79456-27-2(6-氯-3-(三氟甲基)吡啶-2-胺) 795310-80-4(4-(3-甲基-1,2,4-氧杂二唑-5-基)哌啶盐酸盐) 79598-73-5(顺式-3-羟基环戊烷羧酸甲酯) 79600-86-5(4-(4-CHLOROPHENYL)-1H-PYRROLE-2-CARBOXYLIC ACID) 79570-19-7(brimonidine tartrate)

960化工网为您提供(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid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.80558-54-9,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:80558-54-9 国际站:80558-54-9

80558-54-9 (((E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid)

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid(80558-54-9)名称与标识符

名称

标识符

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid(80558-54-9)物化性质

计算特性

(E)-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]tetrahydro-3,4-dihydroxy-(beta)-methyl-2H-pyran-2-crotonic acid ester with 9-hydroxynonanoic acid(80558-54-9)相关文献

目录