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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,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,8,10,12,18-pentamethyl-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)- | 104987-09-9

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,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,8,10,12,18-pentamethyl-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-结构式图片|104987-09-9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,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,8,10,12,18-pentamethyl-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,8,10,12,18-pentamethyl-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
104987-09-9
C42H67NO12
777.98088
6442095
名称和标识符
InChIKey UBQBKOBGHRTZRG-NOATYXABSA-N
Inchi InChI=1S/C42H67NO12/c1-23-16-24(2)18-35(52-8)38-36(53-9)20-27(5)42(50,55-38)39(47)40(48)43-15-11-10-12-30(43)41(49)54-37(28(6)33(46)22-32(45)25(3)17-23)26(4)19-29-13-14-31(44)34(21-29)51-7/h17,19,24-25,27-31,33-38,44,46,50H,10-16,18,20-22H2,1-9H3/b23-17-,26-19+/t24-,25+,27+,28+,29-,30-,31+,33-,34+,35-,36-,37+,38+,42+/m0/s1
SMILES CO[C@H]1[C@H](O)CC[C@@H](/C=C(/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]3(O)[C@@H](C[C@H](OC)[C@H](O3)[C@@H](OC)C[C@@H](C)CC(C)=C[C@@H](C)C(=O)C[C@H](O)[C@H]2C)C)\C)C1 |c:43,&1:2,3,7,10,14,24,26,28,31,33,37,43,48,50|
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,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,8,10,12,18-pentamethyl-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a
  • FR 900523
  • 15,19-epo<wbr>
  • SCHEMBL13817839
  • (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,17,19,21,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
  • 104987-09-9
  • CHEMBL351445
  • 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,8,10,12,18-pentamethyl-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-
  • FR-900523
  • CHEBI:205318
  • (1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,17,19,21,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
物化性质
实验特性
LogP 4.02070
PSA 178.36
折射率 1.547
沸点 861°C at 760 mmHg
闪点 474.5°C
密度 1.2
计算特性
精确分子量 777.46651
氢键供体数量 3
氢键受体数量 12
可旋转化学键数量 5
同位素质量 777.466327
重原子数量 55
复杂度 1410
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) 2.2
拓扑分子极性表面积 178
专业数据库参考
PubChemId 6442095
化合物详情(旧版)

SMILES

CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@@H]2[C@H](C)[C@@H](O)CC(=O)[C@H](C)/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]3O[C@@]([C@H](C)C[C@@H]3OC)(O)C(=O)C(=O)N4[C@@H](CCCC4)C(=O)O2

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,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,8,10,12,18-pentamethyl-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-推荐生产厂家
960化工网为您提供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,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,8,10,12,18-pentamethyl-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:104987-09-9,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:104987-09-9
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