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15,19-环氧-3H-吡啶并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H,23H)-四酮,8-乙基-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,14,16,19-四羟基-3-[2-(3-羟基-4-甲氧基环己基)-1-甲基乙烯基]-4,10,12,18-四甲基-,[3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]-(9CI) | 153781-49-8

15,19-环氧-3H-吡啶并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H,23H)-四酮,8-乙基-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,14,16,19-四羟基-3-[2-(3-羟基-4-甲氧基环己基)-1-甲基乙烯基]-4,10,12,18-四甲基-,[3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]-(9CI)结构式图片|153781-49-8结构式图片
15,19-环氧-3H-吡啶并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H,23H)-四酮,8-乙基-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,14,16,19-四羟基-3-[2-(3-羟基-4-甲氧基环己基)-1-甲基乙烯基]-4,10,12,18-四甲基-,[3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]-(9CI)
15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,14,16,19-tetrahydroxy-3-[2-(3-hydroxy-4-methoxycyclohexyl)-1-methylethenyl]-4,10,12,18-tetramethyl-,[3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]]-(9CI)
153781-49-8
C41H65NO12
763.9543
6443709
名称和标识符
InChIKey GDYYPISRDVJPSV-CVJTUGKLSA-N
Inchi InChI=1S/C41H65NO12/c1-8-28-16-22(2)15-23(3)17-33(46)37-34(47)19-25(5)41(51,54-37)38(48)39(49)42-14-10-9-11-29(42)40(50)53-36(26(6)31(44)21-32(28)45)24(4)18-27-12-13-30(43)35(20-27)52-7/h16,18,23,25-31,33-37,43-44,46-47,51H,8-15,17,19-21H2,1-7H3/b22-16+,24-18+/t23-,25+,26+,27-,28+,29-,30+,31-,33-,34-,35+,36+,37+,41+/m0/s1
SMILES CC[C@@H]1C=C(C)C[C@H](C)C[C@H](O)[C@H]2O[C@@]([C@@H](C[C@@H]2O)C)(O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)/C)[C@H](C)[C@@H](O)CC1=O |c:3,&1:2,7,10,12,14,15,17,30,34,37,40,42,47,49|
别名信息
- 中文别名 -
- 英文别名 -
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,14,16,19-tetrahydroxy-3-[2-(3-hydroxy-4-methoxycyclohexyl)-1-methylethenyl]-4,10,12,18-tetramethyl-,[3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]]-(9CI)
  • 13,15-Ddma
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,8-ethyl-5,6,8,...
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,2
  • 13,15-O-Bidesmethylascomycin
  • 13,15-O-Bidesmethylimmunomycin
  • 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,14,16,19-tetrahydroxy-3-(2-(3-hydroxy-4-methoxycyclohexyl)-1-methylethenyl)-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-
  • 153781-49-8
  • (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-Ethyl-1,14,23,25-tetrahydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
  • 13,15-O-bidesmethylascomycin
物化性质
实验特性
折射率 1.566
沸点 903.6°C at 760 mmHg
闪点 500.3°C
密度 1.24
计算特性
精确分子量 763.450677
氢键供体数量 5
氢键受体数量 12
可旋转化学键数量 4
同位素质量 763.450677
重原子数量 54
复杂度 1400
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) 1.5
拓扑分子极性表面积 200
专业数据库参考
PubChemId 6443709
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