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美洲野百合碱 | 5096-49-1

美洲野百合碱结构式图片|5096-49-1结构式图片
美洲野百合碱
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione,3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-,(3Z,5R,6R,14R,14aS,14bR)-
5096-49-1
C18H25NO6
351.3942
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:美洲野百合碱结构式
5281720
名称和标识符
InChIKey NPYPUYCITBTPSF-TZCAYXSXSA-N
Inchi InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
SMILES CC=C1CC(C(C(=O)OCC2=CCN3C2C(C(C3)O)OC1=O)(C)O)C
别名信息
- 中文别名 -
  • 美洲野百合碱
- 英文别名 -
  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione,3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-,(3Z,5R,6R,14R,14aS,14bR)-
  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione,3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-d
  • anacrotine
  • UNII-WS4XLD79SV
  • UNII-WS4XLD79SV
  • UNII-WS4XLD79SV
  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-
  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-
  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-
  • Q27105769
  • Q27105769
  • Q27105769
  • Senecionan-11,16-dione, 6,12-dihydroxy-, (6-beta)-
  • Senecionan-11,16-dione, 6,12-dihydroxy-, (6-beta)-
  • Senecionan-11,16-dione, 6,12-dihydroxy-, (6-beta)-
  • DTXSID801317393
  • DTXSID801317393
  • DTXSID801317393
  • AKOS040734819
  • AKOS040734819
  • AKOS040734819
  • (1,6)Dioxacyclododecino(2,3-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-
  • (1,6)Dioxacyclododecino(2,3-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-
  • (1,6)Dioxacyclododecino(2,3-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-
  • (3Z,5R,6R,14R,14aS,14bR)-3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
  • (3Z,5R,6R,14R,14aS,14bR)-3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
  • (3Z,5R,6R,14R,14aS,14bR)-3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
  • NSC 114571
  • NSC 114571
  • NSC 114571
  • NSC-114571
  • NSC-114571
  • NSC-114571
  • BRN 1090468
  • BRN 1090468
  • BRN 1090468
  • WS4XLD79SV
  • WS4XLD79SV
  • WS4XLD79SV
  • Anacrotine
  • Anacrotine
  • Anacrotine
  • FS-6727
  • FS-6727
  • FS-6727
  • CHEBI:2697
  • CHEBI:2697
  • CHEBI:2697
  • (1S,4Z,6R,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
  • (1S,4Z,6R,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
  • (1S,4Z,6R,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
  • (+)-Anacrotine
  • (+)-Anacrotine
  • (+)-Anacrotine
  • 5096-49-1
  • 5096-49-1
  • 5096-49-1
  • Crotalaburnine
  • Crotalaburnine
  • Crotalaburnine
物化性质
实验特性
LogP 0.10150
PSA 96.30000
颜色与性状 Powder
计算特性
精确分子量 351.16800
氢键供体数量 2
氢键受体数量 7
可旋转化学键数量 0
同位素质量 351.16818752g/mol
重原子数量 25
复杂度 642
同位素原子数量 0
确定原子立构中心数量 5
不确定原子立构中心数量 0
确定化学键立构中心数量 1
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) 0.1
拓扑分子极性表面积 96.3Ų
相关文献
专业数据库参考
PubChemId 5281720
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