Methyl 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate
Methyl 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate Structure
Systematic / IUPAC Name: Methyl 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate
ID: Reference7536
Other Names: 2-Furancarboxylic acid, 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2,5-dihydro-2-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl}-4-methoxy-5-oxo-, methyl ester
Formula: C30H34O8
Spectral Data
Methyl 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-4-methoxy-5-oxo-2,5-dihydro-2-furancarboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/14/2018 8:17:37 AM |
Identificators
| InChI | InChI=1S/C30H34O8/c1-17(2)7-10-20-13-19(9-12-23(20)31)16-30(29(35)37-6)25(27(36-5)28(34)38-30)22-14-21(11-8-18(3)4)26(33)24(32)15-22/h7-9,12-15,31-33H,10-11,16H2,1-6H3 |
| InChI Key | LARSXHUKWMVHRB-UHFFFAOYSA-N |
| Canonical SMILES | CC(=CCC1=C(C=CC(=C1)CC2(C(=C(C(=O)O2)OC)C3=CC(=C(C(=C3)O)O)CC=C(C)C)C(=O)OC)O)C |
| CAS | |
| Splash | |
| Other Names | 2-Furancarboxylic acid, 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2,5-dihydro-2-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl}-4-methoxy-5-oxo-, methyl ester |