(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-Trihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9-oxo-10,16-docosadi enoic acid（CAS号：56092-81-0）

离子霉素

基本信息

在编辑器中查看

CAS号

56092-81-0

分子式

C41H72O9

分子量

709.02 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酮类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

熔点

204°C-206°C

沸点

No data available

密度

1.072±0.06 g/cm3 (20 ºC 760 Torr),

闪点

No data available

溶解度

Insuluble (4.2E-4 g/L) (25 ºC),

折射率

1.512

蒸气压

No data available

SMILES

在编辑器中查看

CC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)O

InChI

InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1

InChIKey

PGHMRUGBZOYCAA-ADZNBVRBSA-N

LogP

7.7996000000000105

拓扑极性表面积

153.75 Å²

氢键供体/受体

5 / 9

复杂度

1120

安全信息

查看安全信息

危险类别

Class 3 Class 3

同义词与引用数据

英文

HY-13434
Ionomycin, Free Acid, Streptomyces conglobatus
AKOS024456942
Ionomycin Free Acid (85%)
CS-0006887
Ionomycin free acid
(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid
Ionomycin from Streptomyces conglobatus, >=98% (HPLC)
HB1002
C41H72O9
SCHEMBL17265597
NS00011830
HSCI1_000207
AS-56129
AKOS037645010
(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid
SQ23377
(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-Trihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoicacid
SQ 23377
ionomycin
DTXSID2040521
54V905V6AT
EX-A8018F
HMS3403I13
CHEBI:63954
MFCD06798385
(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-Trihydroxy-22-((2S,2'R,5S,5'S)-5'-((R)-1-hydroxyethyl)-2,5'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid
56092-81-0
PGHMRUGBZOYCAA-ADZNBVRBSA-N
UNII-54V905V6AT
CHEMBL501617