| SpectraBase Spectrum ID |
FX1MR3YqAv8 |
| Name |
Retinoic acid, 9,10-epoxy-9,10-dihydro-, (9R,10S)-(.+-.)- |
| Alternate Name(s) |
(2Z,4E)-3-methyl-5-{(2S,3S)-3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]oxiranyl}-2,4-pentadienoic acid
9-trans-9,10-epoxyretinoic acid |
| CAS Registry Number |
129454-98-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-14(13-18(21)22)8-9-17-20(5,23-17)12-10-16-15(2)7-6-11-19(16,3)4/h8-10,12-13,17H,6-7,11H2,1-5H3,(H,21,22)/b9-8+,12-10+,14-13-/t17-,20-/m0/s1 |
| InChIKey |
MJNBASTYWQKUTM-ZLRBYBNVSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
OC(\C=C/(\C=C\[C@]1([C@@](O1)(\C=C\C1=C(CCCC1(C)C)C)C)[H])C)=O |
| SPLASH |
splash10-00di-0090000000-eedee3a973b304f8eb96 |
| Source of Spectrum |
F-45-7693-8 |
| Wiley ID |
1317087 |
