呋喃并[3',4':6,7]萘并[2,3-d]-1,3-二氧杂环戊烯-6(5aH)-酮,9-乙氧基-5,8,8a,9-四氢-5-(3,4,5-三甲氧基苯基)-,[5R-(5a,5aa,8aa,9a)]-(9CI) | 106709-55-1
呋喃并[3',4':6,7]萘并[2,3-d]-1,3-二氧杂环戊烯-6(5aH)-酮,9-乙氧基-5,8,8a,9-四氢-5-(3,4,5-三甲氧基苯基)-,[5R-(5a,5aa,8aa,9a)]-(9CI)
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,9-ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5a,5aa,8aa,9a)]- (9CI)
106709-55-1
C24H26O8
442.45844
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:呋喃并[3',4':6,7]萘并[2,3-d]-1,3-二氧杂环戊烯-6(5aH)-酮,9-乙氧基-5,8,8a,9-四氢-5-(3,4,5-三甲氧基苯基)-,[5R-(5a,5aa,8aa,9a)]-(9CI)结构式
名称和标识符
InChIKey |
STGBBEULPHACPI-RGXPITOMSA-N |
Inchi |
InChI=1S/C24H26O8/c1-5-29-22-14-9-17-16(31-11-32-17)8-13(14)20(21-15(22)10-30-24(21)25)12-6-18(26-2)23(28-4)19(7-12)27-3/h6-9,15,20-22H,5,10-11H2,1-4H3/t15-,20+,21+,22-/m0/s1 |
SMILES |
CCO[C@@H]1[C@H]2COC(=O)[C@H]2[C@H](C2C=C(OC)C(OC)=C(OC)C=2)C2=CC3OCOC=3C=C12 |
别名信息
- 英文别名 -
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,9-ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5a,5aa,8aa,9a)]- (9CI)
- (5R,5aR,8aS,9R)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,9-ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trim...
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,9-ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5a,5aa,8aa
- picropodophyllin-1-ethyl ether
- (5R-(5alpha,5aalpha,8aalpha,9alpha))-9-Ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one
- AC1L2VJO
- epipodophyllotoxin ethyl ether
- Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-ethoxy-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5aalpha,8aalpha,9alpha))-
- O-Aethyl-epipodophyllotoxin
- O-ethyl-epipodophyllotoxin
- Picropodophyllin-1-ethyl ether
- DTXSID10147738
- 106709-55-1
物化性质
计算特性
精确分子量 |
442.16276778g/mol |
氢键供体数量 |
0 |
氢键受体数量 |
8 |
可旋转化学键数量 |
6 |
同位素质量 |
442.16276778g/mol |
重原子数量 |
32 |
复杂度 |
658 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
不确定原子立构中心数量 |
0 |
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) |
无 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
81.7Ų |
呋喃并[3',4':6,7]萘并[2,3-d]-1,3-二氧杂环戊烯-6(5aH)-酮,9-乙氧基-5,8,8a,9-四氢-5-(3,4,5-三甲氧基苯基)-,[5R-(5a,5aa,8aa,9a)]-(9CI)推荐生产厂家