4354-76-1 (鬼臼毒素,16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,?.011,1?]hexadeca-1,3(7),8-trien-12-one)

CAS号:
4354-76-1
中文名称:
鬼臼毒素
英文名称:
16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,?.011,1?]hexadeca-1,3(7),8-trien-12-one
分子式:
C22H22O8
分子量:
414.405287265778

鬼臼毒素(4354-76-1)名称与标识符

名称

中文别名:
鬼臼毒素;鬼臼酯素;足叶草毒素;普达非伦毒素;鬼臼素;[5R-(5Α,5Α,Β,8AΑ,9Α)],5,8,8A,9_四氢-9-羟-5-(3,4,5,三甲氧苯基)呋喃(3',4'∶6,7)萘并-[2,3-D]-1,3-间二氧杂环烯-6(5AH)-酮;虎杖甙POLYDATIN;鬼臼毒;足叶青毒素;
英文别名:
9-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one;1,3,3a,4,9,9a-hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz[f]isobenzofuran-3-one;(-)-PODOPHYLLOTOXIN;(5R,5AR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)...;PODOPHYLLOTOXIN;(5R,5AR,8AR,9R)-9-HYDROXY-5-(3,4,5-TRIMETHOXY-PHENYL)-5,8,8A,9-TETRAHYDRO-5AH-FURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6-ONE;5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one;9-Hydroxy-5-(3,4,5-trimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4',6,7]naphtho[2,3-d][1,3]dioxol-6-on;C(1)-Epimeres von Podophyllotoxin;Picropodophyll;PODOPHYLLOTOXIN(P);PODOPHYLLIC ACID LACTONE;(5R,5AR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,;Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5alphaH)-one,5,8,8alpha,9-tetrahydro-9-hydroxy-5-(3,4,5-triMethoxyphenyl)-;(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one;Podophyllotoxin CRS;16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,?.011,1?]hexadeca-1,3(7),8-trien-12-one;A935070;DTXSID301347791;MLS002702981;Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-;5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one;CS-0136519;NCGC00161930-01;5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3 inverted exclamation marka,4 inverted exclamation marka:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one;SMR001566791;FT-0603436;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-;(5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo(3',4':6,7)naphtho[2,3-d]-1,3-dioxol-6(5aH)-one;9-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one #;CHEMBL310129;CID 4865;CHEBI:125371;5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;NCGC00015813-03;[5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one;AKOS016009914;Naphtho(2,3-d)-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone;SCHEMBL159599;NS00067905;Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9S)-;FT-0603658;60660-50-6;4354-76-1;EN300-52513;9-HO-5-(3,4,5-TRIMETHOXY-PH)-FURO(3',4':6,7)NAPHTHO(2,3-D)(1,3)DIOXOL-6-ONE;16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one;AXL1717;Picropodophyllin;PPP;HMS3372P02;YJGVMLPVUAXIQN-UHFFFAOYSA-N;

标识符

InChIKey:
YJGVMLPVUAXIQN-UHFFFAOYSA-N
Inchi:
1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3
SMILES:
O1C(C2C(C3C=C(C(=C(C=3)OC)OC)OC)C3C=C4C(=CC=3C(C2C1)O)OCO4)=O

鬼臼毒素(4354-76-1)物化性质

实验特性

  • LogP : 2.40920
  • PSA : 92.68000
  • 熔点 : 183-184 °C(lit.)
  • 密度 : 1.370

计算特性

  • 精确分子量 : 414.13100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 4
  • 同位素质量 : 414.13146766g/mol
  • 重原子数量 : 30
  • 复杂度 : 629
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 4
  • 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) : 2
  • 拓扑分子极性表面积 : 92.7Ų

鬼臼毒素(4354-76-1)安全信息

鬼臼毒素(4354-76-1)海关数据

海关编码:
2942000000
海关数据:

中国海关编码:

2942000000

鬼臼毒素(4354-76-1)推荐厂家 更多厂家(28)

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