3’-O-Desmethyl Etoposide | 100007-54-3
3’-O-Desmethyl Etoposide
100007-54-3
C28H30O13
574.5300
名称和标识符
InChIKey |
CYOJPLOJEPTJMM-FMEAWWTOSA-N |
Inchi |
1S/C28H30O13/c1-10-35-8-19-26(39-10)23(31)24(32)28(40-19)41-25-13-6-17-16(37-9-38-17)5-12(13)20(21-14(25)7-36-27(21)33)11-3-15(29)22(30)18(4-11)34-2/h3-6,10,14,19-21,23-26,28-32H,7-9H2,1-2H3/t10-,14+,19-,20-,21+,23-,24-,25-,26-,28+/m1/s1 |
SMILES |
O([C@@]1([H])[C@@]([H])([C@]([H])([C@@]2([H])[C@@]([H])(C([H])([H])O[C@@]([H])(C([H])([H])[H])O2)O1)O[H])O[H])[C@]1([H])C2=C([H])C3=C(C([H])=C2[C@@]([H])(C2=C([H])C(=C(C(=C2[H])OC([H])([H])[H])O[H])O[H])[C@@]2([H])C(=O)OC([H])([H])[C@@]21[H])OC([H])([H])O3 |
别名信息
- 英文别名 -
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5-(3,4-dihydroxy-5-methoxyphenyl)-9-[[4,6-O-(1R)-ethylidene-b-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-,(5R,5aR,8aR,9S)-
- 3’-O-Desmethyl Etoposide
- 3',4'-dihydroxyetoposide
- 3'-O-DesMethyl Etoposide
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5-(3,4-dihydroxy-5-methoxyphenyl)-9-[[4,6-O-(1R)-ethylidene-b-D-glucopyra
- (5S,5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside
- 3',4'-Dihydroxy-VP 16-213
- Dhvp-16-213
- Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5-(3,4-dihydroxy-5-methoxyphenyl)-9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-, (5R-(5alpha,5abeta,8aalpha,9beta(R*)))-
- Etoposide catechol
- RW5CKV6C56
- (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
- 3',4'-Didemethylepipodoph7yllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside)
- 9-(3,4-Dihydroxy-5-methoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-ethylidenehexopyranoside
- 3'-O-Desmethyl Etoposide
- 3',4'-Dihydroxyetoposide
- 3'-O-Demethyletoposide
- CHEMBL3085432
- 113566-41-9
- DTXSID10905158
- UNII-RW5CKV6C56
- 100007-54-3
- FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5-(3,4-DIHYDROXY-5-METHOXYPHENYL)-9-((4,6-O-(1R)-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,8,8A,9-TETRAHYDRO-, (5R,5AR,8AR,9S)-
物化性质
实验特性
计算特性
精确分子量 |
698.22104 |
氢键供体数量 |
4 |
氢键受体数量 |
13 |
可旋转化学键数量 |
4 |
同位素质量 |
574.16864101 g/mol |
重原子数量 |
41 |
复杂度 |
967 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
10 |
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) |
0.3 |
拓扑分子极性表面积 |
172 |
分子量 |
574.5 |
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