| SpectraBase Spectrum ID |
9l1DCWbqVR6 |
| Name |
(+)-(3S,4S,5S,7R,11R)-11,12-epoxy-3.beta.-hydroxynootkatone |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-9-13(17)12(16)6-10-4-5-11(7-14(9,10)2)15(3)8-18-15/h6,9,11,13,17H,4-5,7-8H2,1-3H3/t9-,11-,13+,14+,15+/m1/s1 |
| InChIKey |
PJQYBRYIZHQBAG-CRGUFGBFSA-N |
| Instrument Name |
Agilent 7890 A-5975 C |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/cctc.202101564 |
| Molecular Weight |
250.338 g/mol |
| SMILES |
O[C@@]1(C(=O)C=C2CC[C@@]([C@]3(OC3)C)(C[C@@]2(C)[C@@]1(C)[H])[H])[H] |
| SPLASH |
splash10-03dl-2900000000-e90f48d120216b553394 |
| Source of Spectrum |
CCC-14-8-14 |
| Wiley ID |
1871757 |
