| SpectraBase Spectrum ID |
KqAyeo9ns47 |
| Name |
2-[(6aR,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanoic Acid |
| Appearance |
Light yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O5 |
| InChI |
InChI=1S/C20H26O5/c1-19(2,18(23)24)12-8-15(22)17-13-7-11(10-21)5-6-14(13)20(3,4)25-16(17)9-12/h5,8-9,13-14,21-22H,6-7,10H2,1-4H3,(H,23,24)/t13-,14-/m1/s1 |
| InChIKey |
IRWHAWAGSJVGCV-ZIAGYGMSSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jmedchem.6b00717 |
| Molecular Weight |
346.423 g/mol |
| SMILES |
OCC1=CC[C@@]2([C@](c3c(cc(cc3O)C(C(O)=O)(C)C)OC2(C)C)(C1)[H])[H] |
| SPLASH |
splash10-001i-9022000000-c85d3af697d5cb5b55a1 |
| Source of Spectrum |
AF-59-6912-4a |
| Wiley ID |
1848865 |
![2-[(6aR,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanoic Acid](/api/spectrum/KqAyeo9ns47/structure.png?h=300&w=458 "2-[(6aR,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-2-methylpropanoic Acid")
