| SpectraBase Spectrum ID |
9jF2BKNtBtz |
| Name |
(3Z,6S,8R,11E,14R)-8-Hydroxy-14-((E)-2-iodovinyl)-6-methyloxacyclotetradeca-3,11-dien-2-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H23IO3 |
| InChI |
InChI=1S/C16H23IO3/c1-13-6-5-9-16(19)20-15(10-11-17)8-4-2-3-7-14(18)12-13/h2,4-5,9-11,13-15,18H,3,6-8,12H2,1H3/b4-2+,9-5-,11-10+/t13-,14+,15+/m0/s1 |
| InChIKey |
KRQMBJQRHUJSTG-ICJLTJRYSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804987 |
| Molecular Weight |
390.261 g/mol |
| Optical Rotation |
[a]D20 = +109.9 (c = 0.6, CHCl3) |
| Reported Formula |
C16H23O3I |
| SMILES |
O[C@]1(C[C@](C\C=C/C(O[C@@](\C=C\I)(C\C=C\CC1)[H])=O)(C)[H])[H] |
| SPLASH |
splash10-0c04-5910000000-b8f7e86bc7034ba37d0b |
| Sample Comments |
Z/E = 12:1 |
| Source of Spectrum |
QE-25-SM7-17 |
| Wiley ID |
1845961 |
