7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate
7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate Structure
Systematic / IUPAC Name: 7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate
ID: Reference7718
Other Names: Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 6'-(acetyloxy)-3',4',4'a,5',6',7',8',8'a-octahydro-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-
Formula: C25H34O7
Spectral Data
7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6'-yl acetate 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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/6/2018 10:44:38 AM |
Identificators
| InChI | InChI=1S/C25H34O7/c1-13-6-7-20-23(3,4)22(31-14(2)28)19(30)10-24(20,5)25(13)9-16-18(29)8-15(11-26)17(12-27)21(16)32-25/h8,12-13,19-20,22,26,29-30H,6-7,9-11H2,1-5H3 |
| InChI Key | ZTVXBYHCHQJAQR-UHFFFAOYSA-N |
| Canonical SMILES | CC1CCC2C(C(C(CC2(C13CC4=C(C=C(C(=C4O3)C=O)CO)O)C)O)OC(=O)C)(C)C |
| CAS | |
| Splash | |
| Other Names | Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 6'-(acetyloxy)-3',4',4'a,5',6',7',8',8'a-octahydro-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl- |