| SpectraBase Spectrum ID |
3TauywIj2N8 |
| Name |
(1R,2R,3S)-3-O-Acetyl-5-benzoyloxymethyl-1,2-O-cyclohexylidene-4-cyclohexen-1,2,3-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O6 |
| InChI |
InChI=1S/C22H26O6/c1-15(23)26-18-12-16(14-25-21(24)17-8-4-2-5-9-17)13-19-20(18)28-22(27-19)10-6-3-7-11-22/h2,4-5,8-9,12,18-20H,3,6-7,10-11,13-14H2,1H3/t18-,19+,20-/m0/s1 |
| InChIKey |
UAWPFIOSDCXYAA-ZCNNSNEGSA-N |
| Molecular Weight |
386.444 g/mol |
| SMILES |
[C@]12([C@](OC3(O2)CCCCC3)(CC(=C[C@@]1(OC(=O)C)[H])COC(=O)c1ccccc1)[H])[H] |
| SPLASH |
splash10-00dl-0907000000-e1fad6be9b1cce131d83 |
| Source of Spectrum |
QE-2-56-54 |
| Synonyms |
(3aR,4S,7aR)-4-(acetyloxy)-3a,4,7,7a-tetrahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-6-ylmethyl benzoate |
| Wiley ID |
842566 |
