| SpectraBase Spectrum ID |
IGGqXSeB20J |
| Name |
3.beta.-Acetoxy-11.beta.-(phenylseleno)guaia-4(15),10(14)-dieno-12,6.alpha.-lactone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.099631313 u |
| Formula |
C23H26O4Se |
| InChI |
InChI=1S/C23H26O4Se/c1-13-10-11-18-21(20-14(2)19(12-17(13)20)26-15(3)24)27-22(25)23(18,4)28-16-8-6-5-7-9-16/h5-9,17-21H,1-2,10-12H2,3-4H3/t17?,18?,19-,20?,21?,23+/m0/s1 |
| InChIKey |
XBQYHQACZPAARM-RRBAFTCRSA-N |
| Molecular Weight |
445.429 g/mol |
| SMILES |
C12C3C(C[C@@](C3=C)(OC(=O)C)[H])C(=C)CCC1[C@]([Se]C1=CC=CC=C1)(C)C(O2)=O |
