Account Taxine B
- Catalog No. :
- ACHKEW739
- CAS No. :
- 1361-51-9
- Molecular Formula :
- C33H45NO8
- Molecular Weight :
- 583.72
IUPAC Name:(3S,4aR,5S,6R,11R,12R,12aR)-11-acetoxy-5,6,12-trihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulen-3-yl (S)-3-(dimethylamino)-3-phenylpropanoate
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Product Information
| Product Name | Taxine B |
|---|---|
| IUPAC Name | (3S,4aR,5S,6R,11R,12R,12aR)-11-acetoxy-5,6,12-trihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulen-3-yl (S)-3-(dimethylamino)-3-phenylpropanoate |
| Molecular Formula | C33H45NO8 |
| Molecular Weight | 583.72 |
| SMILES | C=C1[C@@H](OC(=O)C[C@@H](C2=CC=CC=C2)N(C)C)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@](O)([C@@H](O)[C@H]12)C3(C)C |
| InChI Key | XMZFIBDTPOUHMW-WUZHRMKGSA-N |
| Synonym | Taxine B;1361-50-8;Benzenepropanoic acid, β-(dimethylamino)-, (3S,4aR,5S,6R,11R,12R,12aR)-11-(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,6,12-trihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, (βS)-;Valine Impurity 64 |
| CAS No. | 1361-51-9 |
Synthetic Route by SureRoute
2. ACHKEW739 Molecular Building Block Synthetic Route
(4S,4aS,6S,9S,12S,12aR,12bR)-12b-acetoxy-9-(((2R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (E)-2-methylbut-2-enoate
(3S,4aR,5R,6R,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-8-oxo-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,11,12-triyl triacetate
(1S,3S,4aR,5R,6R,11R,12R,12aS)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-8-oxo-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-1,5,11,12-tetrayl tetraacetate