| SpectraBase Spectrum ID |
GxhAS4H7zDa |
| Name |
(1'S*,6'S*)-6'-Hydroxy-6-isopropyl-3-methyl-[1,1':4',1''-tercyclohexane]-2,3',6'-triene-2',5'-dione |
| Appearance |
Amber oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O3 |
| InChI |
InChI=1S/C22H30O3/c1-13(2)16-10-9-14(3)11-18(16)20-19(23)12-17(21(24)22(20)25)15-7-5-4-6-8-15/h11-13,15-16,18,25H,4-10H2,1-3H3/t16-,18+/m0/s1 |
| InChIKey |
QCCPQVNKDTXDRC-FUHWJXTLSA-N |
| Instrument Name |
Fisons VG70-SE or Thermo Finnigan MAT900xp |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900548 |
| Molecular Weight |
342.479 g/mol |
| Reported Formula |
C22H30O3 |
| SMILES |
OC=1C(C(=CC(C1[C@@]1(C=C(CC[C@]1(C(C)C)[H])C)[H])=O)C1CCCCC1)=O |
| SPLASH |
splash10-0a6r-0195000000-eba18278fc01f2ba7965 |
| Source of Spectrum |
CMC-15-SM27-9f |
| Wiley ID |
1839971 |
![(1'S*,6'S*)-6'-Hydroxy-6-isopropyl-3-methyl-[1,1':4',1''-tercyclohexane]-2,3',6'-triene-2',5'-dione](/api/spectrum/GxhAS4H7zDa/structure.png?h=300&w=458 "(1'S*,6'S*)-6'-Hydroxy-6-isopropyl-3-methyl-[1,1':4',1''-tercyclohexane]-2,3',6'-triene-2',5'-dione")
