| SpectraBase Spectrum ID |
ETZt5bpoQ2y |
| Name |
(1R,2S,3S,4R,5R)-3-O-Acetyl-5-benzoyloxymethyl-4,5-O-cyclohexylidene-1,2,3,4,5-cyclohexanpentanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O8 |
| InChI |
InChI=1S/C22H28O8/c1-14(23)28-18-17-16(29-22(30-17)10-6-3-7-11-22)12-21(26,19(18)24)13-27-20(25)15-8-4-2-5-9-15/h2,4-5,8-9,16-19,24,26H,3,6-7,10-13H2,1H3/t16-,17-,18-,19+,21+/m1/s1 |
| InChIKey |
DPCGJZLUINETOP-TYZHSBRISA-N |
| Molecular Weight |
420.458 g/mol |
| SMILES |
O[C@@]1([C@](C[C@@]2([C@]([C@]1(OC(=O)C)[H])(OC1(O2)CCCCC1)[H])[H])(COC(=O)c1ccccc1)O)[H] |
| SPLASH |
splash10-004i-0009400000-d5a3f83c423196c0977e |
| Source of Spectrum |
QE-2-56-55 |
| Synonyms |
(3aR,4S,5S,6S,7aR)-4-(acetyloxy)-5,6-dihydroxy-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-6-ylmethyl benzoate |
| Wiley ID |
842565 |
