| SpectraBase Spectrum ID |
IJaswMqLwkr |
| Name |
.alpha.-Ethyl-4-(acetyloxy)-2,3A,4,7,8,9,11A-.beta.hydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(B)furan-9-yl ester of (3as-(3ar*,4S*,E,9R*(S*),10Z,11AR*))-benzeneacetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.219888744 u |
| Formula |
C27H32O6 |
| InChI |
InChI=1S/C27H32O6/c1-6-21(20-10-8-7-9-11-20)27(30)32-22-13-12-16(2)14-23(31-19(5)28)25-18(4)26(29)33-24(25)15-17(22)3/h7-11,14-15,21-25H,4,6,12-13H2,1-3,5H3/b16-14+,17-15- |
| InChIKey |
RQAFZAXEEYKYFQ-GGTPAPDOSA-N |
| Molecular Weight |
452.547 g/mol |
| SMILES |
C1(C(C2C(\C=C\(CCC(OC(C(C3=CC=CC=C3)CC)=O)\C(=C/C2O1)C)C)OC(=O)C)=C)=O |
