(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5,5',6-Tetrahydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-beta,beta-caroten-3'-yl acetate（CAS号：3351-86-8）

岩藻黄质

基本信息

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CAS号

3351-86-8

分子式

C42H60O7

分子量

676.94 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

物理状态

Powder

熔点

166-168 ºC

沸点

590.43°C (rough estimate)

折射率

n20/D 1.360-1.362

比旋光度

D18 +72.5 ±9° (chloroform)

SMILES

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CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C

InChI

InChI=1S/C42H60O7/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(49-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42(48)39(8,9)24-34(44)25-41(42,11)47/h12-22,34-35,44,46-48H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1

InChIKey

TZTFIZUHAXDGQM-XJUZQKKNSA-N

LogP

7.646600000000013

拓扑极性表面积

124.29 Å²

氢键供体/受体

4 / 7

复杂度

1530

安全信息

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危险说明

H225 高度易燃液体和蒸气
易燃液体

H319 造成严重眼刺激
严重眼损伤/眼刺激

同义词与引用数据

英文

Fucoxanthin, carotenoid antioxidant
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-
Fucoxanthol
all-trans-Fucoxanthin
ALL-E-(3S,5R,6S,3'S,5'R,6'R)-FUCOXANTHIN
06O0TC0VSM
CHEBI:5186
3351-86-8
Fucoxanthin carotenoid antioxidant
Fucoxanthin (from Wakame) (Brown Seaweed) (Undaria Pinnatifida)
.alpha.-Carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-, 3'-acetate, all-trans-
HMS2219K22
SMR000453597
(3S,3'S,5R,5'R,6S,6'R)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene
XF162694
CHEMBL1575074
Fucoxanthin, all-trans-
(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate
all-trans-Fucoxanthinall-trans-Fucoxanthin
(1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene)-3,5,5-trimethylcyclohexyl acetate
(3S,5R,6S,3'S,5'R,6'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl acetate
(3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
FUCOXANTHIN [INCI]
.ALPHA.-CAROTENE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-, 3'-ACETATE
SJWWTRQNNRNTPU-ABBNZJFMSA-
FUCOXANTHIN [MI]
MFCD01745140
NCGC00247434-01
(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-
FUCOXANTHIN [WHO-DD]
LMPR01070300