| SpectraBase Spectrum ID |
HBQjmITpEwc |
| Name |
(2R,3aS,9S,9aR)-9-Hydroxy-2-(1-hydroxy-1-methyl-ethyl)-6,6-dimethyl-2,3,3a,4,6,7,9,9a-octahydro-furo[2,3-g]chromen-8-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O5 |
| InChI |
InChI=1S/C16H24O5/c1-15(2)7-9(17)12-10(21-15)5-8-6-11(16(3,4)19)20-14(8)13(12)18/h8,11,13-14,18-19H,5-7H2,1-4H3/t8-,11-,13+,14-/m1/s1 |
| InChIKey |
DZAJOXRUACGTEM-DQBQHTNRSA-N |
| Molecular Weight |
296.363 g/mol |
| SMILES |
O[C@@]1([C@@]2(O[C@@](C(O)(C)C)(C[C@]2(CC2=C1C(CC(O2)(C)C)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-0002-0090000000-4a342d8ec901162c5e9a |
| Source of Spectrum |
U1-2011-5166-1 |
| Synonyms |
Pestalotheol E
(2R,3aS,9S,9aR)-9-hydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,3a,4,7,9,9a-hexahydro-2H-furo[2,3-g][1]benzopyran-8-one
(2R,3aS,9S,9aR)-9-hydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,3a,4,7,9,9a-hexahydro-2H-furo[2,3-g]chromen-8-one
(2R,3aS,9S,9aR)-6,6-dimethyl-9-oxidanyl-2-(2-oxidanylpropan-2-yl)-3,3a,4,7,9,9a-hexahydro-2H-furo[2,3-g]chromen-8-one |
| Wiley ID |
1665945 |
