| SpectraBase Spectrum ID |
8rSAZk1bSz6 |
| Name |
6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid |
| Alternate Name(s) |
Apiosporic acid |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-8-2-4-10-6-9(7-14)3-5-11(10)12(8)13(15)16/h2,4,8-12,14H,3,5-7H2,1H3,(H,15,16)/t8-,9-,10-,11-,12-/m1/s1 |
| InChIKey |
LQQYYLGWHXPFKQ-LZQZFOIKSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np034061x |
| Molecular Weight |
224.300 g/mol |
| Optical Rotation |
[a]D28 = -103.6 (c = 0.50, MeOH) |
| Reported Formula |
C13H20O3 |
| SMILES |
OC[C@@]1(CC[C@@]2([C@](C=C[C@]([C@]2(C(O)=O)[H])(C)[H])(C1)[H])[H])[H] |
| SPLASH |
splash10-004i-0900000000-0fd69f61935893e5be82 |
| Source of Spectrum |
G4-67-1062-2 |
| Wiley ID |
1884024 |
