| SpectraBase Spectrum ID |
5D20BVxRn7X |
| Name |
(E)-chlorodeoxyspongiaquinone |
| Alternate Name(s) |
3-[(E)-((2S,4aS,8aS)-2,5,5,8a-tetramethyloctahydro-1(2H)-naphthalenylidene)methyl]-2-chloro-5-methoxybenzo-1,4-quinone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29ClO3 |
| InChI |
InChI=1S/C22H29ClO3/c1-13-7-8-17-21(2,3)9-6-10-22(17,4)18(13)19(23)15-11-14(24)12-16(26-5)20(15)25/h11-13,17H,6-10H2,1-5H3/b19-18-/t13-,17-,22-/m0/s1 |
| InChIKey |
UTEDSHZVBRFFFK-CXXDBOOHSA-N |
| Molecular Weight |
376.924 g/mol |
| SMILES |
C=1(\C(=C\2[C@@]3([C@@](C(C)(C)CCC3)([H])CC[C@@]2(C)[H])C)Cl)C(C(=CC(C1)=O)OC)=O |
| SPLASH |
splash10-0ug0-0913000000-c78cfa38a595f1446c3e |
| Source of Spectrum |
JA-49-611-0 |
| Wiley ID |
1357842 |
