| SpectraBase Spectrum ID |
G4kJvbrzxXO |
| Name |
Methyl [5a'S,6'R,9'S]-2-(3'H-3',6'-dimethyl-9a'-formyl-3'-hydroxyperhydro-1',2'-benzodioxoepin-9'-yl)propenoate |
| Alternate Name(s) |
Methyl 2-[(3R,5aS,6R,9S,9aR)-9a-formyl-3-hydroxy-3,6-dimethyloctahydro-3H-1,2-benzodioxepin-9-yl]prop-2-enoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O6 |
| InChI |
InChI=1S/C16H24O6/c1-10-5-6-13(11(2)14(18)20-4)16(9-17)12(10)7-8-15(3,19)21-22-16/h9-10,12-13,19H,2,5-8H2,1,3-4H3/t10-,12+,13+,15-,16-/m1/s1 |
| InChIKey |
LPQGQQHWSJMALE-ZPPJNMKPSA-N |
| Molecular Weight |
312.362 g/mol |
| SMILES |
O[C@@]1(OO[C@]2([C@](C(C(=O)OC)=C)(CC[C@]([C@@]2(CC1)[H])(C)[H])[H])C=O)C |
| SPLASH |
splash10-0006-9200000000-82ae954ef9dd7ccda35d |
| Source of Spectrum |
C-117-11104-12 |
| Wiley ID |
759375 |
![Methyl [5a'S,6'R,9'S]-2-(3'H-3',6'-dimethyl-9a'-formyl-3'-hydroxyperhydro-1',2'-benzodioxoepin-9'-yl)propenoate](/api/spectrum/G4kJvbrzxXO/structure.png?h=300&w=458 "Methyl [5a'S,6'R,9'S]-2-(3'H-3',6'-dimethyl-9a'-formyl-3'-hydroxyperhydro-1',2'-benzodioxoepin-9'-yl)propenoate")
