| SpectraBase Spectrum ID |
CqqxIVulIPC |
| Name |
Methyl ester of 14-oxo-9,11-didehydroatisiren-20-acid |
| Alternate Name(s) |
Methyl (2R,5R,10S,13S)-6,6-dimethyl-16-methylene-15-oxotetracyclo[11.2.1.0(2,11).0(5,10)]hexadec-11-ene-10-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-12-13-10-15-14(18(12)16(22)11-13)6-7-17-20(2,3)8-5-9-21(15,17)19(23)24-4/h10,13-14,17-18H,1,5-9,11H2,2-4H3/t13-,14+,17-,18+,21-/m1/s1 |
| InChIKey |
SFRGMYFNGATVFU-OBWVQBAHSA-N |
| Molecular Weight |
328.452 g/mol |
| SMILES |
C1=2[C@]3([C@](C(C)(C)CCC3)([H])CC[C@@]1([C@]1(C(=O)C[C@](C1=C)(C2)[H])[H])[H])C(=O)OC |
| SPLASH |
splash10-000i-0090000000-4aa321a917faaec1c794 |
| Source of Spectrum |
K-111-1513-0 |
| Wiley ID |
1326670 |
