| SpectraBase Spectrum ID |
PK8xdyAVc |
| Name |
(1S,4R,5aR,8aS)-1-[4',7',7'-Trimethyl-3'-oxo-2'-oxabicyclo[2.2.1]heptane-1'-carbonyl]-octahydrocyclopenta[b]azepin-6-one |
| Alternate Name(s) |
(5aR,8aS)-1-{[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}octahydrocyclopenta[b]azepin-6(1H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H27NO4 |
| InChI |
InChI=1S/C19H27NO4/c1-17(2)18(3)9-10-19(17,24-16(18)23)15(22)20-11-5-4-6-12-13(20)7-8-14(12)21/h12-13H,4-11H2,1-3H3/t12-,13+,18+,19-/m1/s1 |
| InChIKey |
QDDYDNOBUYYCAO-MTZMYHNQSA-N |
| Molecular Weight |
333.428 g/mol |
| SMILES |
[C@@]12(C(N3[C@@]4([C@](C(=O)CC4)(CCCC3)[H])[H])=O)OC(=O)[C@](C1(C)C)(C)CC2 |
| SPLASH |
splash10-0ff0-2943000000-053ecfdc66ff2476f17a |
| Source of Spectrum |
HE-2004-1920-13 |
| Wiley ID |
1581845 |
![(1S,4R,5aR,8aS)-1-[4',7',7'-Trimethyl-3'-oxo-2'-oxabicyclo[2.2.1]heptane-1'-carbonyl]-octahydrocyclopenta[b]azepin-6-one](/api/spectrum/PK8xdyAVc/structure.png?h=300&w=458 "(1S,4R,5aR,8aS)-1-[4',7',7'-Trimethyl-3'-oxo-2'-oxabicyclo[2.2.1]heptane-1'-carbonyl]-octahydrocyclopenta[b]azepin-6-one")
