Account (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
- Catalog No. :
- ACQXKU804
- CAS No. :
- 3148-09-2
- Molecular Formula :
- C27H34O9
- Molecular Weight :
- 502.56
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C27H34O9 |
| Molecular Weight | 502.56 |
| SMILES | CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1 |
| InChI Key | NLUGUZJQJYVUHS-IDXDZYHTSA-N |
| Synonym | spiro(16,18-methano-1h,3h,23h-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyra;vera;Verrucarin;Muconomycin A, NSC 126728;verrucarin A from myrothecium sp;NSC 126728;MUCONOMYCIN A;VERRUCARIN A |
| CAS No. | 3148-09-2 |
Synthetic Route by SureRoute
2. ACQXKU804 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,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,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