Account 12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
- Catalog No. :
- ACTRMI885
- CAS No. :
- 78432-78-7
- Molecular Formula :
- C31H38O12
- Molecular Weight :
- 602.63
IUPAC Name:12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
![12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate |
|---|---|
| IUPAC Name | 12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate |
| MDL No. | MFCD17214887 |
| Molecular Formula | C31H38O12 |
| Molecular Weight | 602.63 |
| SMILES | CC(=O)OC1C(=O)C2(CO)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)C2=CC=CC=C2)C2(O)CC(O)C(C)=C1C2(C)C |
| InChI Key | SYDMVWLQJZBPIU-UHFFFAOYSA-N |
| Synonym | 19-hydroxybaccatin III;19-hydroxylbaccatin III;7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-,(2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-;Levodropropizine Impurity 25;(2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-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]oxete-6,12b-diyl diacetate;(2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-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];19-hydroxybacatine III;Docetaxel Impurity 73 |
| CAS No. | 78432-78-7 |
Synthetic Route by SureRoute
2. ACTRMI885 Molecular Building Block Synthetic Route
(2aR,4R,4aR,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
7,10-Dimethoxy-10-DAB III
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-9-(cinnamoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate