| SpectraBase Spectrum ID |
1Tvs0qUKGom |
| Name |
(2S,3S,6R)-6-[2-(Benzyloxy)propan-2-yl]-3-methyl-2-(3-oxobutyl)cycloheptanone |
| Appearance |
Pale yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O3 |
| InChI |
InChI=1S/C22H32O3/c1-16-10-12-19(14-21(24)20(16)13-11-17(2)23)22(3,4)25-15-18-8-6-5-7-9-18/h5-9,16,19-20H,10-15H2,1-4H3/t16-,19+,20-/m0/s1 |
| InChIKey |
YCSITTQHGYVCOV-DBVUQKKJSA-N |
| Instrument Name |
Agilent Technologies 6890-5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np500819f |
| Molecular Weight |
344.495 g/mol |
| Reported Formula |
C22H32O3 |
| SMILES |
C1(=O)C[C@](C(OCc2ccccc2)(C)C)(CC[C@](C)([C@@]1(CCC(=O)C)[H])[H])[H] |
| SPLASH |
splash10-0006-9300000000-7659d74dff3b2d67ee71 |
| Source of Spectrum |
G4-78-143-17 |
| Wiley ID |
1865817 |
![(2S,3S,6R)-6-[2-(Benzyloxy)propan-2-yl]-3-methyl-2-(3-oxobutyl)cycloheptanone](/api/spectrum/1Tvs0qUKGom/structure.png?h=300&w=458 "(2S,3S,6R)-6-[2-(Benzyloxy)propan-2-yl]-3-methyl-2-(3-oxobutyl)cycloheptanone")
