33538-72-6 (杀黑星菌素B,Venturicidin B)

CAS号:
33538-72-6
中文名称:
杀黑星菌素B
英文名称:
Venturicidin B
分子式:
C40H66O10
分子量:
706.946053981781
简介:
Venturicidin B (Aabomycin A2) 是一种从链霉菌中分离出来的大环内酯类抗生素,可用作抗真菌剂,线粒体 F0-ATP 合成酶(ATP synthase)复合体的有效抑制剂。

杀黑星菌素B(33538-72-6)名称与标识符

名称

中文别名:
杀黑星菌素B;
英文别名:
4,21-Dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-3-one,11-[(2,6-dideoxy-b-D-arabino-hexopyranosyl)oxy]-1-hydroxy-5-[(1R,3R,4S,5S)-4-hydroxy-1,3,5-trimethyl-6-oxooctyl]-6,8,16,18-tetramethyl-,(1R,5S,6R,8R,9E,11R,15E,17R)- (9CI);4,21-Dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-3-one,11-[(2,6-dideoxy-b-D-arabino-hexopyranosyl)oxy]-1-hydroxy-5-[(1R,3R,4S;4,21-Dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-3-one,11-[(2,6-dideoxy-b-D-arabino-hexopyranosyl)oxy]-1-hydroxy-5-[(1R,3R,4S,5S)-4-hydroxy-1,3,5-trimethyl-6-oxooctyl]-6,8,16,18-tetramethyl-,(1R,5S,6R;Venturicidin;VENTURICIDIN B;Velloquercetin;Aabomycin A;CHEBI:224229;4,21-DIOXABICYCLO(15.3.1)HENEICOSA-9,15,18-TRIEN-3-ONE, 11-((2,6-DIDEOXY-.BETA.-D-ARABINO-HEXOPYRANOSYL)OXY)-1-HYDROXY-5-((1R,3R,4S,5S)-4-HYDROXY-1,3,5-TRIMETHYL-6-OXOOCTYL)-6,8,16,18-TETRAMETHYL-, (1R,5S,6R,8R,9E,11R,15E,17R)-;(1R-(1R*,5S*(1R*,3R*,4S*,5S*),6R*,8R*,11R*,17R*))-11-((2,6-DIDEOXY-.BETA.-D-ARABINO-HEXOPYRANOSYL)OXY)-1-HYDROXY-5-(4-HYDROXY-1,3,5-TRIMETHYL-6-OXOOCTYL)-6,8,16,18-TETRAMETHYL-4,21-DIOXABICYCLO(15.3.1)HENEICOSA-9,15,18-TRIEN-3-ONE;CS-0092564;HY-125637;UNII-8S254814I6;(3-DECARBAMOYLOXY)-3-HYDROXYVENTURICIDIN A;VENTURICIDIN B [MI];(1R,5S,6R,8R,9E,11R,15E,17R)-11-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one;Q27270947;8S254814I6;33538-72-6;AABOMYCIN A2;4,21-DIOXABICYCLO(15.3.1)HENEICOSA-9,15,18-TRIEN-3-ONE, 11-((2,6-DIDEOXY-BETA-D-ARABINO-HEXOPYRANOSYL)OXY)-1-HYDROXY-5-((1R,3R,4S,5S)-4-HYDROXY-1,3,5-TRIMETHYL-6-OXOOCTYL)-6,8,16,18-TETRAMETHYL-, (1R,5S,6R,8R,9E,11R,15E,17R)-;(1R-(1R*,5S*(1R*,3R*,4S*,5S*),6R*,8R*,11R*,17R*))-11-((2,6-DIDEOXY-BETA-D-ARABINO-HEXOPYRANOSYL)OXY)-1-HYDROXY-5-(4-HYDROXY-1,3,5-TRIMETHYL-6-OXOOCTYL)-6,8,16,18-TETRAMETHYL-4,21-DIOXABICYCLO(15.3.1)HENEICOSA-9,15,18-TRIEN-3-ONE;72146-65-7;

标识符

InChIKey:
VIOYQVOQUWWSAB-KEXSXYLYSA-N
Inchi:
1S/C40H66O10/c1-10-32(41)29(8)36(44)26(5)20-28(7)38-27(6)19-23(2)15-16-31(48-35-21-33(42)37(45)30(9)47-35)14-12-11-13-24(3)39-25(4)17-18-40(46,50-39)22-34(43)49-38/h13,15-17,23,26-31,33,35-39,42,44-46H,10-12,14,18-22H2,1-9H3/b16-15+,24-13+/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,40+/m0/s1
SMILES:
O1C(C[C@]2(CC=C(C)[C@@H](C(C)=CCCC[C@H](C=C[C@H](C)C[C@@H](C)[C@H]1[C@H](C)C[C@@H](C)[C@@H]([C@@H](C(CC)=O)C)O)O[C@H]1C[C@H]([C@@H]([C@@H](C)O1)O)O)O2)O)=O |t:10,16|

杀黑星菌素B(33538-72-6)物化性质

实验特性

  • LogP : 5.94110
  • PSA : 151.98000
  • 熔点 : 168-170°; mp 145-149° (ethyl acetate-petr ether)
  • 比旋光度 : D +100° (c = 0.847 in chloroform)

计算特性

  • 精确分子量 : 706.46600
  • 氢键供体数量 : 4
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 9
  • 同位素质量 : 706.46559830g/mol
  • 重原子数量 : 50
  • 复杂度 : 1200
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 14
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 2
  • 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) : 5
  • 拓扑分子极性表面积 : 152Ų

杀黑星菌素B(33538-72-6)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单