Systematic / IUPAC Name: 4-[(1S,2R,3R)-7-Hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-1-naphthalenyl]-1,2-benzenediol
ID: Reference7857
Other Names: 4-[(1S,2R,3R)-7-Hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol
Formula: C19H22O6
Isotaxiresinol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 162 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 4/26/2018 6:42:00 AM |
InChI | InChI=1S/C19H22O6/c1-25-18-6-11-4-12(8-20)14(9-21)19(13(11)7-17(18)24)10-2-3-15(22)16(23)5-10/h2-3,5-7,12,14,19-24H,4,8-9H2,1H3/t12-,14-,19-/m0/s1 |
InChI Key | GQLVRVYXAHDDLB-PJFSTRORSA-N |
Canonical SMILES | COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)O)O |
CAS | |
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Other Names | 4-[(1S,2R,3R)-7-Hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol |
PubChem | 9841162 |
ChEBI | CHEBI:70194 |
ChEMBL | CHEMBL1668111 |
ChemSpider | 8016877 |