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303-98-0 分子结构
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2-[(2E,6E,10E,14Z,18E,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

ChemBase编号:120166
分子式:C59H90O4
平均质量:863.3435
单一同位素质量:862.68391136
SMILES和InChIs

SMILES:
C1(=C(C(=O)C(=C(C1=O)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)\C)\C)\C)/C)\C)\C)\C)OC)OC
Canonical SMILES:
COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)\C)\C)\C)/C)\C)\C)\C)C
InChI:
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28-,47-30+,48-32+,49-34+,50-36-,51-38+,52-40+,53-42+
InChIKey:
ACTIUHUUMQJHFO-DQXDOXBUSA-N

引用这个纪录

CBID:120166 http://www.chembase.cn/molecule-120166.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-[(2E,6E,10E,14Z,18E,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
IUPAC传统名
2-[(2E,6E,10E,14Z,18E,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
别名
2-((2E,6E,10E,14Z,18E,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Ubiquinone 10
Ubiquinone 50
Ubidecarenone
Coenzyme q10
CAS号
303-98-0
PubChem SID
162214519
PubChem CID
17572160

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 17572160 external link

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 17.156128  LogD (pH = 7.4) 17.156128 
Log P 17.156128  摩尔折射率 286.6052 cm3
极化性 107.49632 Å3 极化表面积 52.6 Å2
可自由旋转的化学键 31  里宾斯基五规则 false 

分子性质

分子性质

药理学性质 产品相关信息 生物活性(PubChem)
生物活性机理
Electron transport chain regulator expand 查看数据来源
生物来源
Isol. from beef heart and other mammalian sources in which it is the principal representative of its class expand 查看数据来源
应用领域
Cardiovascular agent expand 查看数据来源
used to treat congestive heart failure expand 查看数据来源

详细说明

详细说明

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
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