找化学品上960化工网!
960化工网

雷公藤定碱 | 37239-51-3

雷公藤定碱结构式图片|37239-51-3结构式图片
雷公藤定碱
Wilfordine
37239-51-3
C43H49NO19
883.8445
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:雷公藤定碱结构式
540150
雷公藤定碱价格
名称和标识符
MDL MFCD20133904
InChIKey XQDBHSNYTFRCNJ-BZPAFPAKSA-N
Inchi 1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29?,30?,31-,32+,33-,34+,35-,39?,40+,41?,42+,43-/m0/s1
SMILES O1[C@]2(C([H])([H])[H])C([H])([H])OC(C3C([H])=C([H])C([H])=NC=3C([H])([H])C([H])([H])C(C([H])([H])[H])(C(=O)O[C@@]3([H])[C@@]([H])([C@@]([H])([C@@]4(C([H])([H])OC(C([H])([H])[H])=O)[C@@]([H])(C([H])(C2([H])[C@]([H])([C@@]14C3(C([H])([H])[H])O[H])OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O)OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)O[H])=O
别名信息
- 中文别名 -
  • 雷公藤定碱
  • 雷公藤碱
  • 雷公藤定碱
  • 雷公藤定碱,wilfordine,植物提取物,标准品,对照品
  • 雷公藤定碱对照品
  • 雷公藤碱(雷公藤定碱)
  • 雷公藤定碱(对照品)
- 英文别名 -
  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-18,21-dihydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-
  • Wtlfordine
  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)...
  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(ace
  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-d
  • Wilfordine
  • WILFORDIN
  • (8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-18,21-dihydroxy-8,18,21-trimethyl-,8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione
  • [(1S,3S,18S,19R,20R,21R,22S,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,1
  • BCP13065
  • NS00067908
  • 1ST159326
  • [20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
  • CID 540150
  • 37239-51-3
  • XQDBHSNYTFRCNJ-UHFFFAOYSA-N
  • AKOS040760753
  • FT-0698332
  • Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-26-hydroxy-, (8.alpha.)-
  • PU2C6Y564G
  • PU2C6Y564G
  • 8,11-EPOXY-9,12-ETHANO-11,15-METHANO-5H,11H-(1,9)DIOXACYCLOOCTADECINO(4,3-B)PYRIDINE-5,17(18H)-DIONE, 10,13,22,23-TETRAKIS(ACETYLOXY)-12-((ACETYLOXY)METHYL)-14-(BENZOYLOXY)-7,8,9,10,12,13,14,15,19,20-DECAHYDRO-18,21-DIHYDROXY-8,18,21-TRIMETHYL-, (8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-
  • 8,11-EPOXY-9,12-ETHANO-11,15-METHANO-5H,11H-(1,9)DIOXACYCLOOCTADECINO(4,3-B)PYRIDINE-5,17(18H)-DIONE, 10,13,22,23-TETRAKIS(ACETYLOXY)-12-((ACETYLOXY)METHYL)-14-(BENZOYLOXY)-7,8,9,10,12,13,14,15,19,20-DECAHYDRO-18,21-DIHYDROXY-8,18,21-TRIMETHYL-, (8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-
  • CHEMBL525628
  • CHEMBL525628
  • AC1L9D2Q
  • AC1L9D2Q
  • SureCN2396537
  • SureCN2396537
  • Q27108561
  • Q27108561
  • CHEBI:10039
  • CHEBI:10039
  • C09992
  • C09992
  • SCHEMBL2396537
  • SCHEMBL2396537
  • [(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
  • [(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
  • CHEMBL449308
  • CHEMBL449308
  • Wilfordin
  • Wilfordin
物化性质
实验特性
LogP 1.27140
PSA 272.98000
折射率 1.597
沸点 895.5°Cat760mmHg
闪点 495.4°C
颜色与性状 Powder
密度 1.44
计算特性
精确分子量 883.29000
氢键供体数量 2
氢键受体数量 20
可旋转化学键数量 14
同位素质量 883.29
重原子数量 63
复杂度 1850
同位素原子数量 0
确定原子立构中心数量 11
不确定原子立构中心数量 1
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) 1.2
拓扑分子极性表面积 273
分子量 883.8
专业数据库参考
PubChemId 540150
960化工网为您提供雷公藤定碱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.:37239-51-3,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
平台客服 平台客服

平台在线客服