THEOBROXIDE;(3S,4R,5S,6R)-3,6-DIHYDROXY-4,5-EPOXY-1-METHYLCYCLOHEX-1-ENE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 7kBz7Kt7y9d |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,4-9H,1H3/t4-,5+,6+,7-/m0/s1 |
| InChIKey | OICXPDKRWDNGQZ-WNJXEPBRSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
| Enantiomer InChIKey | OICXPDKRWDNGQZ-JRTVQGFMSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
(1R,2S,5S,6S)-3-iodo-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
(1R,2S,5S,6S)-3-chloro-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
1,6-ANHYDRO-3,4-DIDEOXY-4-METHYL-BETA-D-THREOHEX-3-ENOPYRANOSE
2-Hydroxymethyl-6-methoxy-4-methyl-3,6-dihydro-2H-pyran-3-ol
(1S,2R,3R,4S)-3-bromo-6-iodocyclohex-5-ene-1,2,4-triol
YNPFEYUTCGDFDD-UHFFFAOYSA-N
(4R,5R,6R)-4,5,6-trihydroxy-2-methylcyclohex-2-en-1-one
2-Methyl-4,5,6-tris(oxidanyl)cyclohex-2-en-1-one
(1S,2R,3R,4S)-3,6-dibromocyclohex-5-ene-1,2,4-triol
(1S,2R,3R,4S)-3-bromo-6-chlorocyclohex-5-ene-1,2,4-triol
| Title | Journal or Book | Year |
|---|---|---|
| Potato micro-tuber inducing substances from Lasiodiplodia theobromae | Phytochemistry | 1994 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.