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黄曲霉毒素 B1 | 1162-65-8

黄曲霉毒素 B1
Aflatoxin B1
1162-65-8
C17H12O6
312.2736
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:黄曲霉毒素 B1结构式
24891116
黄曲霉毒素 B1价格
简介
Aflatoxin B1 (AFB1) 是一类 1A 级致癌物质,是 Aspergillus flavus 和 A. parasiticus 的次生代谢产物。Aflatoxin B1 (AFB1) 主要通过诱导抑癌基因 p53 中 codon 249 第三位点的 G-->T,从而引起突变。
名称和标识符
MDL MFCD00869647
InChIKey OQIQSTLJSLGHID-WNWIJWBNSA-N
Inchi 1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1
SMILES O1C2=C([H])C(=C3C4=C(C(=O)OC3=C2[C@]2([H])C([H])=C([H])O[C@]12[H])C(C([H])([H])C4([H])[H])=O)OC([H])([H])[H]
BRN 1269174
别名信息
- 中文别名 -
  • 黄曲霉毒素 B1
  • 黄曲霉素B1
  • 黄曲霉素
  • 黄曲霉素B1标准品
  • 黄曲霉毒素 B1, 来源于黄曲霉
  • 黄曲霉素 B1 溶液
  • AFTB1标准品
  • 黄曲霉毒素
  • 黄曲霉毒素 b
  • 黄曲霉毒素 B1 标准品
  • 黄曲霉毒素 B1标准品免费溶解
  • 黄曲霉毒素 B1标准品怎么溶解
  • 黄曲霉毒素 B1免费溶解
  • 黄曲霉毒素B1-13C-D3
  • 黄曲霉毒素B1标准品 Aflatoxin B1
  • 黄曲霉毒素B1标准溶液
  • 黄曲霉毒素标准品
  • 可的伐唑
  • 是的
  • 黄曲霉毒素B1
- 英文别名 -
  • AFLATOXIN B1
  • (6ar-cis)-ahydro-4-methoxy
  • )(1)benzopyran-1,11-dione
  • 1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-b]benzofuran-5-yl)-5-oxo-, delta-lactone
  • 2,3,6aalpha,9aalpha-tetrahydro-4-methoxycyclopenta(c)furo(3’,2’:4,5)furo(2,3-h
  • 4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-H]chromene-1,11-dione
  • 6-methoxydifurocoumarone
  • afb1
  • AFBI
  • 1H,11H-Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-4-...
  • 1H,11H-Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-4-methoxy-, (6aR,9aS)-
  • 2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-4-methoxy-, (6aR,9aS)-
  • Aflatoxin B1 (AFB1, NSC 529592, HSDB 3453 )
  • Aflatoxin B1 solution
  • AFLATOXIN B1(RG)
  • Aflatoxin B1, crystalline
  • alflatoxin
  • alflatoxin b1
  • aflatoxin b
  • cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetr
  • NSC 529592
  • (6aR,9aS)-2,3,6a,9a-Tetrahydro-4-methoxy-1H,11H-cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
  • alflatoxinb1
  • 9N2N2Y55MH
  • Cyclopen
  • aflatoxin b1
  • AFB1
  • Aflatoxin B1
  • AFLATOXIN B-1
  • SCHEMBL126480
  • (6AR-CIS)-2,3,6A,9A-TETRAHYDRO-4-METHOXYCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE
  • CS-0034371
  • EINECS 214-603-3
  • EX-A5480
  • Discontinued See D444270 (the trihydrate)
  • HY-N6615
  • CHEBI:2504
  • AMY22311
  • 2,3,6aa,9aa-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(l)benzopyran-1,11-dione
  • (-)-Aflatoxin B1
  • DTXSID9020035
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-
  • BDBM120261
  • AFLATOXIN B1 [HSDB]
  • 804 - Mycotoxins in dried fruits
  • (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione
  • Aflatoxin B1 Solution in Acetonitrile, 100ug/mL
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-
  • NS00000079
  • 794 - Aflatoxin analysis of spices
  • Q4689278
  • 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(2',3':4,5)furo(2,3-h)chromene-1,11-dione
  • NSC-529592
  • UNII-9N2N2Y55MH
  • (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
  • HSDB 3453
  • 5-carboxylate
  • Aflatoxin B1 2 microg/mL in Acetonitrile
  • Aflatoxin B(1)
  • OQIQSTLJSLGHID-WNWIJWBNSA-N
  • Aflatoxin B1, B2, G1, G2 and Ochratoxin A Mixture 1 microg/mL in Acetonitrile
  • 03 - Mycotoxins
  • CCRIS 12
  • Aflatoxin B1 from Aspergillus flavus, from Aspergillus flavus
  • (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
  • Cyclopenta[c]furo[3',5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR,9aS)-
  • 10279-73-9
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6aalpha,9aalpha-tetrahydro-4-methoxy-
  • Methyl 4-(4-Fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-
  • MFCD00869647
  • 2,3,6a,9a-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzo-pyran-1,11-dione
  • (6aR-cis)-2,3,6a,9a-Tetrahydro-4-methoxycyclopenta
  • 1ST7205
  • 5 - Mycotoxins in animal feed
  • CHEMBL1697694
  • 779 - Aflatoxin
  • AKOS030241596
  • 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
  • 1ST7205-100A
  • Cyclopenta[c]furo[3',5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a.alpha.,9a.alpha.-tetrahydro-4-methoxy-
  • 1-CYCLOPENTENE-1-CARBOXYLIC ACID, 2-(3A,8A-DIHYDRO-4-HYDROXY-6-METHOXYFURO(2,3-B)BENZOFURAN-5-YL)-5-OXO-, DELTA-LACTONE
  • (+/-)-Aflatoxin B1
  • WLN: T F5 C6 B655 DOV GV OO QO RUT&&TTJ LO1
  • BRN 1269174
  • 1H,11H-CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,9A-TETRAHYDRO-4-METHOXY-, (6AR,9AS)-
  • AFLATOXIN B1 [MI]
  • 1162-65-8
  • NSC529592
  • BIDD:ER0313
  • NCGC00247669-01
  • Cyclopenta[c]furo[3',5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-
  • DTXSID00873175
  • Aflatoxin B1, reference material
  • DTXCID10820519
  • aflatoxin B(1)
  • 45.06 ppb( inverted exclamation markA9.27 ppb)
物化性质
实验特性
LogP 2.27650
PSA 74.97000
Merck 13,180
折射率 1.4800 (estimate)
沸点 372.21°C (rough estimate)
熔点 268-269 ºC
蒸气压 0.0±1.4 mmHg at 25°C
闪点 2 °C
溶解度 几乎不溶 (0.087 g/L) (25 ºC),
颜色与性状 Yellow powder
稳定性 Stable. Incompatible with strong oxidizing agents. May be light or air sensitive.
溶解性 溶于氯仿和乙醇,微溶于水。
比旋光度 D -558° (c = 0.1 in CHCl3); D -480° (c = 0.1 in DMF)
密度 1.56±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 312.06300
氢键供体数量 0
氢键受体数量 6
可旋转化学键数量 1
同位素质量 312.06338810g/mol
重原子数量 23
复杂度 650
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.6
互变异构体数量 10
表面电荷 0
拓扑分子极性表面积 71.1
国际标准相关数据
EINECS 12
专业数据库参考
PubChemId 24891116
参考资料
Reaxys RN
Beilstein 1269174
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