Account (3S,4aR,5R,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,8,11,12-tetrayl tetraacetate
- Catalog No. :
- ACQUTZ659
- CAS No. :
- 18457-45-9
- Molecular Formula :
- C37H46O10
- Molecular Weight :
- 650.77
IUPAC Name:(3S,4aR,5R,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,8,11,12-tetrayl tetraacetate
![(3S,4aR,5R,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,8,11,12-tetrayl tetraacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,4aR,5R,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,8,11,12-tetrayl tetraacetate |
|---|---|
| IUPAC Name | (3S,4aR,5R,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,8,11,12-tetrayl tetraacetate |
| Molecular Formula | C37H46O10 |
| Molecular Weight | 650.77 |
| SMILES | C=C1[C@@H](OC(=O)/C=C/C2=CC=CC=C2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C |
| InChI Key | XBKVZMYBDASNNM-PXJXHGSXSA-N |
| Synonym | 7-Deacetoxytaxinine J;Taxinine E;2-Propenoic acid, 3-phenyl-, (3S,4aR,5R,6R,8S,11R,12R,12aR)-5,8,11,12-tetrakis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-3-yl ester, (2E)- |
| CAS No. | 18457-45-9 |
Synthetic Route by SureRoute
2. ACQUTZ659 Molecular Building Block Synthetic Route
(3S,4aR,5R,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-5-hydroxy-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-8,11,12-triyl triacetate
(3S,4aR,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-8,11,12-triyl triacetate
(3S,4aR,5R,6R,8S,11R,12R,12aR)-3-(cinnamoyloxy)-12-hydroxy-9,12a,13,13-tetramethyl-4-methylene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,8,11-triyl triacetate