Account Mytoxin B
- Catalog No. :
- ACVBOX701
- CAS No. :
- 105049-15-8
- Molecular Formula :
- C29H36O9
- Molecular Weight :
- 528.60
IUPAC Name:(1'R,2S,4'E,8'R,12'Z,16a'R,20a'R,22'R,23a'S,25'R)-8'-acetyl-25'-hydroxy-19',23a'-dimethyl-1',7',8',10',11',18',20a',23a'-octahydro-14'H,16'H,17'H,22'H-spiro[oxirane-2,23'-[1,22:8,12]dimethano[1,6,12]trioxacyclooctadecino[3,4-d]chromene]-3',14'(6'H)-dione
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Product Information
| Product Name | Mytoxin B |
|---|---|
| IUPAC Name | (1'R,2S,4'E,8'R,12'Z,16a'R,20a'R,22'R,23a'S,25'R)-8'-acetyl-25'-hydroxy-19',23a'-dimethyl-1',7',8',10',11',18',20a',23a'-octahydro-14'H,16'H,17'H,22'H-spiro[oxirane-2,23'-[1,22:8,12]dimethano[1,6,12]trioxacyclooctadecino[3,4-d]chromene]-3',14'(6'H)-dione |
| Molecular Formula | C29H36O9 |
| Molecular Weight | 528.60 |
| SMILES | CC1=C[C@@]2([H])O[C@H]3[C@@]4([C@@]5([C@H](OC(/C=C/CC[C@]6(OCC/C([C@H]6O)=C/C(OC[C@]25CC1)=O)C(C)=O)=O)C3)C)OC4 |
| InChI Key | LXIQXFWXXPJPEE-OICCJBEUSA-N |
| Synonym | Spiro[5,9:16,18-dimethano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2'-oxirane]-3,14(9H)-dione,9-acetyl-6,7,10,11,16,16a,19a,22-octahydro-25-hydroxy-16a,21-dimethyl-,(2'S,4E,9S,12Z,16R,16aS,18R,19aR,23aR,25R)- (9CI);Mytoxin B |
| CAS No. | 105049-15-8 |
Synthetic Route by SureRoute
2. ACVBOX701 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
15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one
(2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-6'-hydroxy-5a'-(hydroxymethyl)-5',8'-dimethyl-7'-oxo-2',3',4',5',5a',6',7',9a'-octahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-3'-yl acetate