Account 12-(benzoyloxy)-4,5,9,10,11-pentahydroxy-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-6,12b(2aH)-diyl diacetate
- Catalog No. :
- ACBKRE923
- CAS No. :
- 1623410-12-7
- Molecular Formula :
- C31H40O12
- Molecular Weight :
- 604.65
IUPAC Name:12-(benzoyloxy)-4,5,9,10,11-pentahydroxy-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-6,12b(2aH)-diyl diacetate
![12-(benzoyloxy)-4,5,9,10,11-pentahydroxy-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-6,12b(2aH)-diyl diacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 12-(benzoyloxy)-4,5,9,10,11-pentahydroxy-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-6,12b(2aH)-diyl diacetate |
|---|---|
| IUPAC Name | 12-(benzoyloxy)-4,5,9,10,11-pentahydroxy-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-6,12b(2aH)-diyl diacetate |
| Molecular Formula | C31H40O12 |
| Molecular Weight | 604.65 |
| SMILES | CC(=O)OC1C2=C(C)C(O)C(O)C(O)(C(OC(=O)C3=CC=CC=C3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1O)C2(C)C |
| InChI Key | YFNJMSUUYCXOBD-UHFFFAOYSA-N |
| Synonym | Baccatin IX;PubChem ID: 125181894 |
| CAS No. | 1623410-12-7 |
Synthetic Route by SureRoute
2. ACBKRE923 Molecular Building Block Synthetic Route
12-(benzoyloxy)-4,5,10,11-tetrahydroxy-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-6,9,12b(2aH)-triyl triacetate
(2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-4,5,11-trihydroxy-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-6,9,12b(2aH)-triyl triacetate
10b-acetoxy-4,5,6,8-tetrahydroxy-9a-(2-hydroxypropan-2-yl)-4a,7-dimethyl-2a,3,4,4a,5,6,8,9,9a,10,10a,10b-dodecahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxet-10-yl benzoate