| SpectraBase Spectrum ID |
7IpCmLHTZHV |
| Name |
(2'SR,4a'SR,8'RS,8a'RS)-2-(2'-Methyl-1'-oxo-1',2',3',4',4a',5',8',8a'-octahydronaphthalen-8'-yl)acetatic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-8-5-6-9-3-2-4-10(7-11(14)15)12(9)13(8)16/h2,4,8-10,12H,3,5-7H2,1H3,(H,14,15)/t8-,9+,10-,12+/m0/s1 |
| InChIKey |
PRBXWZHCQVVDNJ-MIZYBKAJSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
OC(C[C@]1([C@@]2(C(=O)[C@](CC[C@]2(CC=C1)[H])(C)[H])[H])[H])=O |
| SPLASH |
splash10-0006-9000000000-2babd75cc3ee6c9ba7bb |
| Source of Spectrum |
F-55-10093-10 |
| Synonyms |
(2'SR,4a'SR,8'RS,8a'RS)-2-(2'-Methyl-1'-oxo-1',2',3',4',4a',5',8',8a'-octahydronaphthalen-8'-yl)acetic acid
2-[(1R,4aS,7S,8aR)-7-methyl-8-oxo-4,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]acetic acid
2-[(1R,4aS,7S,8aR)-7-methyl-8-oxidanylidene-4,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]ethanoic acid |
| Wiley ID |
838913 |
