Account ((2S,2'R,3'R,5'R,5a'R,9a'R)-3'-Hydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate
- Catalog No. :
- ACIUHE947
- CAS No. :
- 2623-22-5
- Molecular Formula :
- C17H24O5
- Molecular Weight :
- 308.37
IUPAC Name:((2S,2'R,3'R,5'R,5a'R,9a'R)-3'-hydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate
![((2S,2'R,3'R,5'R,5a'R,9a'R)-3'-Hydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((2S,2'R,3'R,5'R,5a'R,9a'R)-3'-Hydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate |
|---|---|
| IUPAC Name | ((2S,2'R,3'R,5'R,5a'R,9a'R)-3'-hydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate |
| MDL No. | MFCD00078774 |
| Molecular Formula | C17H24O5 |
| Molecular Weight | 308.37 |
| SMILES | O[C@@H]1C[C@@]2([C@]3(CCC(C)=C[C@]3(O[C@H]1[C@]24OC4)[H])COC(C)=O)C |
| InChI Key | XJVUZQIPINLTLE-KWRZAIAESA-N |
| Synonym | 15-Acetoxyscirpendiol | 15-Acetoxy-3α,4β-dihydroxy-12,13-epoxytrichothec-9-ene | 15-Acetoxyscirpen-3,4-diol | (3-alpha)-12,13-Epoxytrichothec-9-ene-3,4,15-triol 15-acetate | 15-Acetoxyscirpenol | 15-Acetylscirpenetriol | 15-Mono-O-acetylscirpenol | 15-O-A |
| CAS No. | 2623-22-5 |
| PubChem CID | 21117975 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301
- Precautionary Statement(s)
- P264-P270-P301+P310-P321-P330-P405-P501
Synthetic Route by SureRoute
2. ACIUHE947 Molecular Building Block Synthetic Route
(2S,16a'R,20a'R,22'R,23a'S)-12',19',23a'-trimethyl-1',18',20a',23a'-tetrahydro-10'H,16'H,17'H,22'H-spiro[oxirane-2,23'-[1,22]methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene]-3',8',14'(11'H)-trione
(2S,4'S,5'R,10'E,12'Z,16a'S,18'R,19a'R,23a'R)-4'-hydroxy-5',16a',21'-trimethyl-4',5',6',7',16',16a',19a',22'-octahydro-1'H,3'H,18'H,23'H-spiro[oxirane-2,17'-[16,18]methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene]-3',9',14'-trione
15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one