| SpectraBase Spectrum ID |
3aQ0ZIUaqGc |
| Name |
(4E,6Z,11S)-4-isopropyl-7,11-dimethyl-16-oxabicyclo[9.3.2]hexadeca-1(14),4,6-triene-10,15-dione |
| CAS Registry Number |
81499-22-1 |
| Comments |
Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1317068 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14H,5,8,10-13H2,1-4H3/b15-7-,16-9+/t20-/m0/s1 |
| InChIKey |
PSZUHEPXMXTNIL-VYZDZDEQSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
C1(O[C@@]2(C(CC\C(=C/C=C\(CCC1=CCC2)C(C)C)C)=O)C)=O |
| SPLASH |
splash10-0006-9300000000-b8e0854a792fdcde3fa9 |
| Source of Spectrum |
B-35-625-0 |
| Synonyms |
Sarcophytolide
(4E,6Z,11S)-4-isopropyl-7,11-dimethyl-16-oxabicyclo[9.3.2]hexadeca-1(14),4,6-triene-10,15-quinone
(4E,6Z,11S)-7,11-dimethyl-4-propan-2-yl-16-oxabicyclo[9.3.2]hexadeca-1(14),4,6-triene-10,15-dione
(S,5Z,7E)-8-isopropyl-1,5-dimethyl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione |
| Wiley ID |
1821413 |
![(4E,6Z,11S)-4-isopropyl-7,11-dimethyl-16-oxabicyclo[9.3.2]hexadeca-1(14),4,6-triene-10,15-dione](/api/spectrum/3aQ0ZIUaqGc/structure.png?h=300&w=458 "(4E,6Z,11S)-4-isopropyl-7,11-dimethyl-16-oxabicyclo[9.3.2]hexadeca-1(14),4,6-triene-10,15-dione")
