Account 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A
- Catalog No. :
- ACBLST844
- CAS No. :
- 172486-22-5
- Molecular Formula :
- C31H40O10
- Molecular Weight :
- 572.65
IUPAC Name:(2S,3aS,4S,4aR,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylene-2,3,3a,4,4a,5,6,7,8,8a,9,10-dodecahydrobenzo[f]azulene-4,8-diyl diacetate
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Product Information
| Product Name | 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A |
|---|---|
| IUPAC Name | (2S,3aS,4S,4aR,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylene-2,3,3a,4,4a,5,6,7,8,8a,9,10-dodecahydrobenzo[f]azulene-4,8-diyl diacetate |
| MDL No. | MFCD32644995 |
| Molecular Formula | C31H40O10 |
| Molecular Weight | 572.65 |
| SMILES | O[C@@H]1C(C)=C2[C@@H](O)[C@H](OC(C3=CC=CC=C3)=O)[C@@]([C@@H](OC(C)=O)C[C@H](O)C4=C)(C)[C@]4([H])[C@H](OC(C)=O)[C@]2(C(C)(O)C)C1 |
| InChI Key | ZJRNRUMUBVLZKF-SRXXEXFGSA-N |
| Synonym | 9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A;Benz[f]azulene-2,4,6,8,9,10-hexol, 2,3,3a,4,4a,5,6,7,8,8a,9,10-dodecahydro-3a-(1-hydroxy-1-methylethyl)-1,8a-dimethyl-5-methylene-, 4,8-diacetate 9-benzoate, (2S,3aS,4S,4aR,6S,8S,8aS,9R,10R)- (9CI) |
| CAS No. | 172486-22-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACBLST844 Molecular Building Block Synthetic Route
(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate
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
(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