For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Retinoic acid, 9,10-epoxy-9,10-dihydro-, (9R,10S)-(.+-.)-
SpectraBase Compound ID 9byPeSwDv0t
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
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FX1MR3YqAv8
Name Retinoic acid, 9,10-epoxy-9,10-dihydro-, (9R,10S)-(.+-.)-
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
Synonyms (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
Wiley ID 1317087