Account (2aR,4S,4aS,5R,6R,9S,11R,12R,12aR,12bS)-4a,8,13,13-tetramethyl-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-4,5,6,9,12,12b(2aH)-hexayl hexaacetate
- Catalog No. :
- ACHLZC440
- CAS No. :
- 57672-78-3
- Molecular Formula :
- C32H44O13
- Molecular Weight :
- 636.69
IUPAC Name:(2aR,4S,4aS,5R,6R,9S,11R,12R,12aR,12bS)-4a,8,13,13-tetramethyl-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-4,5,6,9,12,12b(2aH)-hexayl hexaacetate
![(2aR,4S,4aS,5R,6R,9S,11R,12R,12aR,12bS)-4a,8,13,13-tetramethyl-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-4,5,6,9,12,12b(2aH)-hexayl hexaacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2aR,4S,4aS,5R,6R,9S,11R,12R,12aR,12bS)-4a,8,13,13-tetramethyl-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-4,5,6,9,12,12b(2aH)-hexayl hexaacetate |
|---|---|
| IUPAC Name | (2aR,4S,4aS,5R,6R,9S,11R,12R,12aR,12bS)-4a,8,13,13-tetramethyl-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-4,5,6,9,12,12b(2aH)-hexayl hexaacetate |
| MDL No. | MFCD32644941 |
| Molecular Formula | C32H44O13 |
| Molecular Weight | 636.69 |
| SMILES | CC(=O)O[C@H]1[C@@H]2[C@]3(OC(C)=O)CO[C@@H]3C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C2=C(C)[C@@H](OC(C)=O)C[C@@H]1C2(C)C |
| InChI Key | GHSKUVKACGPNGN-CZYGJQDOSA-N |
| Synonym | 1β－Dehydroxybaccatin IV;7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,12,12b(2aH)-hexol, 3,4,4a,5,6,9,10,11,12,12a-decahydro-4a,8,13,13-tetramethyl-, 4,5,6,9,12,12b-hexaacetate, (2aR,4S,4aS,5R,6R,9S,11R,12R,12aR,12bS)-;[(1R,2R,3R,4S,7R,9S,10S,11R,12R,15S)-2,4,9,11,12-Pentaacetyloxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-1 3-en-15-yl] acetate |
| CAS No. | 57672-78-3 |
Synthetic Route by SureRoute
2. ACHLZC440 Molecular Building Block Synthetic Route
(1S,3S,4aR,6R,8S,11R,12R,12aS)-3-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-1,8,11,12-tetrayl tetraacetate
(1S,3S,4aR,5R,6R,8S,11R,12R,12aS)-3-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-1,5,8,11,12-pentayl pentaacetate
(1'S,2R,3'S,4a'R,5'S,6'S,8'S,11'R,12'R,12a'S)-1',6',12'-trihydroxy-9',12a',13',13'-tetramethyl-2',3',4a',5',6',7',8',11',12',12a'-decahydro-1'H-spiro[oxirane-2,4'-[6,10]methanobenzo[10]annulene]-3',5',8',11'-tetrayl tetraacetate