| SpectraBase Spectrum ID |
IHYRwcYHTT |
| Name |
Cyclopenta[C]pyran-4-carboxylic acid, 1,4A,5,6,7,7A-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxy-, methyl ester, (1.alpha.,4A.alpha.,6.alpha.,7A.alpha.)-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.110338294 u |
| Formula |
C12H18O6 |
| InChI |
InChI=1S/C12H18O6/c1-16-11(15)8-5-18-12(17-2)10-6(8)3-9(14)7(10)4-13/h5-7,9-10,12-14H,3-4H2,1-2H3/t6-,7?,9+,10+,12-/m0/s1 |
| InChIKey |
DUXADQCLAVDREH-XUPDGNGRSA-N |
| Molecular Weight |
258.270 g/mol |
| SMILES |
C=1([C@]2([C@@](C(CO)[C@@](C2)(O)[H])([H])[C@](OC1)(OC)[H])[H])C(=O)OC |
![Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxy-, methyl ester, (1.alpha.,4a.alpha.,6.alpha.,7a.alpha.)-(.+-.)-](/api/spectrum/IHYRwcYHTT/structure.png?h=300&w=458 "Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxy-, methyl ester, (1.alpha.,4a.alpha.,6.alpha.,7a.alpha.)-(.+-.)-")
