| SpectraBase Spectrum ID |
DPGP3dYtLJ5 |
| Name |
17-Iodomethyl-8,13-labdadien-16,15-olid-19-oic acid methyl ester isomer |
| Alternate Name(s) |
Methyl (1S,4aS)-6-(iodomethyl)-1,4a-dimethyl-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29IO4 |
| InChI |
InChI=1S/C21H29IO4/c1-20-10-4-11-21(2,19(24)25-3)17(20)8-6-15(13-22)16(20)7-5-14-9-12-26-18(14)23/h9,17H,4-8,10-13H2,1-3H3/t17?,20-,21+/m1/s1 |
| InChIKey |
LZVYNYDLRZFTDL-SJRAPUSDSA-N |
| Molecular Weight |
472.363 g/mol |
| SMILES |
[C@@]12(C(=C(CI)CCC2[C@](C(=O)OC)(C)CCC1)CCC=1C(OCC1)=O)C |
| SPLASH |
splash10-001i-0191000000-5e42055b702c163a7634 |
| Source of Spectrum |
QB-19-594-3 |
| Wiley ID |
842007 |
