(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one（CAS号：53872-60-9）

(+)-(3aR,4R,5r,6aS)-六氢-5-羟基-4-[(1E,3R)-3-羟基-4-(3-三氟甲基)苯氧基-1-丁烯基]-2H-环戊并[b]呋喃-2-酮

基本信息

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CAS号

53872-60-9

分子式

C18H19F3O5

分子量

372.34 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酯类

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

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

精细化工产品专用化学品紫外线稳定剂

农用化学品农药除草剂

基本物理性质

沸点

520.6°C at 760 mmHg

SMILES

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C1C(C(C2C1OC(=O)C2)C=CC(COC3=CC=CC(=C3)C(F)(F)F)O)O

InChI

InChI=1S/C18H19F3O5/c19-18(20,21)10-2-1-3-12(6-10)25-9-11(22)4-5-13-14-7-17(24)26-16(14)8-15(13)23/h1-6,11,13-16,22-23H,7-9H2/b5-4+/t11-,13-,14-,15-,16+/m1/s1

InChIKey

XYSPYIAAWRUEML-AVMWIMHJSA-N

LogP

2.3137999999999996

拓扑极性表面积

75.99000000000001 Å²

氢键供体/受体

2 / 5

复杂度

535

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H332 吸入有害
急性毒性-吸入

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

(3aR,4R,5R,6aS)-5-Hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
(+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-(3-trifluoromethyl)phenoxy-1-butenyl]-2H-cyclopenta[b]furan-2-one
(3AR,4R,5R,6AS)-5-HYDROXY-4-((R,E)-3-HYDROXY-4-(3-(TRIFLUOROMETHYL)-PHENOXY)BUT-1-EN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
(3aR,4R,5R,6aS)-4-((R,E)-4-(3-(trifluoromethyl)phenoxy)-3-hydroxybut-1-enyl)-hexahydro-5-hydroxycyclopenta[b]furan-2-one
HMS3649I17
53872-60-9
AMY30073
SR-01000946575
AKOS015896619
2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-, (3aR,4R,5R,6aS)-
C15945
SR-01000946575-1
SCHEMBL1838024
J-501157
(3Ar,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
(3AR,4R,5R,6aS)-5-Hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)-phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]fur...
(3AR,4R,5R,6aS)-5-Hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)-phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
(3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Travoprost Epoxide
(3aR,4R,5R,6aS)-5-hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)hexahydro-2H-cyclopenta[b]furan-2-one
Travoprost Intermediate

中文

(+)-(3aR,4R,5r,6aS)-六氢-5-羟基-4-[(1E,3R)-3-羟基-4-(3-三氟甲基)苯氧基-1-丁烯基]-2H-环戊并[b]呋喃-2-酮
(+)-(3aR,4R,5r,6aS)-六氢-5-羟基-4-((1E,3R)-3-羟基-4-(3-三氟甲基)苯氧基-1-丁烯基)-2H-环戊并(b)呋喃-2-酮
2H-环戊并[B]呋喃-2-酮,六氢-5-羟基-4-[(1E,3R)-3-羟基-4-[3-(三氟甲基)苯氧基]-1-丁烯-1-基]-,(3AR,4R,5R,6AS)-(...)
TP-2 (TV-E二) (Travoprost)
曲沃前列素中间体
2H-环戊并[B]呋喃-2-酮,六氢-5-羟基-4-[(1E,3R)-3-羟基-4-[3-(三氟甲基)苯氧基]-1-丁烯-1-基]-,(3AR,4R,5R,6AS)-