| SpectraBase Spectrum ID |
1sqrT5gfmS |
| Name |
(4aS,5S,6S)-6-Methyl-1-oxo-4,4a,5,6-tetrahydropyrano[3,4-c]pyran-5-carboxylic acid |
| Appearance |
Light yellow viscous liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H12O5 |
| InChI |
InChI=1S/C10H12O5/c1-5-8(9(11)12)6-2-3-14-10(13)7(6)4-15-5/h4-6,8H,2-3H2,1H3,(H,11,12)/t5-,6+,8+/m0/s1 |
| InChIKey |
FHBCLTGFTAARNI-SHYZEUOFSA-N |
| Instrument Name |
ThermoFinnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b00691 |
| Molecular Weight |
212.201 g/mol |
| Optical Rotation |
[a]D24 = -38.0 (c = 0.01, MeOH) |
| Reported Formula |
C10H12O5 |
| SMILES |
OC([C@@]1([C@@](OC=C2C(OCC[C@@]12[H])=O)(C)[H])[H])=O |
| SPLASH |
splash10-03xr-0960000000-87c3e4565fc7a74243a2 |
| Source of Spectrum |
G4-79-772-1 |
| Wiley ID |
1849278 |
![(4aS,5S,6S)-6-Methyl-1-oxo-4,4a,5,6-tetrahydropyrano[3,4-c]pyran-5-carboxylic acid](/api/spectrum/1sqrT5gfmS/structure.png?h=300&w=458 "(4aS,5S,6S)-6-Methyl-1-oxo-4,4a,5,6-tetrahydropyrano[3,4-c]pyran-5-carboxylic acid")
