| SpectraBase Spectrum ID |
7ZLVq5Po38q |
| Name |
[15-13C2H3]-2-(7.alpha.-Hydroxy-4,7-dimethyl-(1.alpha.H),2,3,(4.beta.H),(4a.alpha..H),5,6,7,8,(8a.alpha.H)-decahydronaphthalen-1-yl)propionic acid |
| Alternate Name(s) |
(2R)-2-[(1R,4R,4aS,7R,8aS)-7-hydroxy-4-methyl-7-(trideuteriomethyl)-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalen-1-yl]propanoic acid
(2R)-2-[(1R,4R,4aS,7R,8aS)-7-hydroxy-4-methyl-7-(trideuteriomethyl)decalin-1-yl]propanoic acid
(2R)-2-[(1R,4R,4aS,7R,8aS)-4-methyl-7-oxidanyl-7-(trideuteriomethyl)-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalen-1-yl]propanoic acid |
| Comments |
Original formula: C14[13C]H23D3O3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-9-4-5-12(10(2)14(16)17)13-8-15(3,18)7-6-11(9)13/h9-13,18H,4-8H2,1-3H3,(H,16,17)/t9-,10-,11+,12+,13+,15-/m1/s1/i3+1D3 |
| InChIKey |
HSOPBTCGSYKCGY-HACBTIHWSA-N |
| Molecular Weight |
258.381 g/mol |
| SMILES |
OC([C@@]([C@]1([C@]2(C[C@](CC[C@]2([C@@](CC1)(C)[H])[H])([13C]([2D])([2D])[2D])O)[H])[H])(C)[H])=O |
| SPLASH |
splash10-014i-0910000000-1a16233862f5cf33c831 |
| Source of Spectrum |
KC-60-1133-5 |
| Wiley ID |
1583222 |
![[15-13C2H3]-2-(7.alpha.-Hydroxy-4,7-dimethyl-(1.alpha.H),2,3,(4.beta.H),(4a.alpha..H),5,6,7,8,(8a.alpha.H)-decahydronaphthalen-1-yl)propionic acid](/api/spectrum/7ZLVq5Po38q/structure.png?h=300&w=458 "[15-13C2H3]-2-(7.alpha.-Hydroxy-4,7-dimethyl-(1.alpha.H),2,3,(4.beta.H),(4a.alpha..H),5,6,7,8,(8a.alpha.H)-decahydronaphthalen-1-yl)propionic acid")
