| SpectraBase Spectrum ID |
JPlUz5sxp8f |
| Name |
Acetic acid (1R)-acetoxy-(5R)-cyano-(7R)-isopropyl-(4aS)-methyl-9-oxodecahydrocyclohepta[c]pyran-(3R)-yl ester |
| Alternate Name(s) |
(1R,3R,4aS,5R,7R)-1-(acetyloxy)-5-cyano-7-isopropyl-4a-methyl-9-oxodecahydrocyclohepta[c]pyran-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H27NO6 |
| InChI |
InChI=1S/C19H27NO6/c1-10(2)13-6-14(9-20)19(5)8-16(24-11(3)21)26-18(25-12(4)22)17(19)15(23)7-13/h10,13-14,16-18H,6-8H2,1-5H3/t13-,14+,16+,17?,18+,19+/m1/s1 |
| InChIKey |
CUWFNGPJYOGZAS-FAFGROLYSA-N |
| Molecular Weight |
365.426 g/mol |
| SMILES |
[C@]12(C([C@@](OC(=O)C)(O[C@@](C2)(OC(=O)C)[H])[H])C(C[C@@](C[C@]1(C#N)[H])(C(C)C)[H])=O)C |
| SPLASH |
splash10-01oy-9211000000-b8612b3bf5d67698dcdf |
| Source of Spectrum |
KD-14-2287-4 |
| Wiley ID |
1636186 |
![Acetic acid (1R)-acetoxy-(5R)-cyano-(7R)-isopropyl-(4aS)-methyl-9-oxodecahydrocyclohepta[c]pyran-(3R)-yl ester](/api/spectrum/JPlUz5sxp8f/structure.png?h=300&w=458 "Acetic acid (1R)-acetoxy-(5R)-cyano-(7R)-isopropyl-(4aS)-methyl-9-oxodecahydrocyclohepta[c]pyran-(3R)-yl ester")
