3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propanoic acid
7701
Reference
3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propanoic acid Structure
Systematic / IUPAC Name: 3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propanoic acid
ID: Reference7701
Other Names: 1H-Furo[3,4-b]xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-
Formula: C25H34O8
Spectral Data
3-[7-Hydroxy-8-(2-hydroxy-2-propanyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,5a,6,7,8,9,9a,10-octahydro-1H-furo[3,4-b]xanthen-9-yl]propanoic acid 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 | 4/5/2018 6:41:42 AM |
Identificators
| InChI | InChI=1S/C25H34O8/c1-12-14-11-32-22(29)18(14)20(31-6)13-9-16-24(4,8-7-17(27)28)21(23(2,3)30)15(26)10-25(16,5)33-19(12)13/h15-16,21,26,30H,7-11H2,1-6H3,(H,27,28) |
| InChI Key | NNOMPFCNQCRAIO-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C2C(=C(C3=C1COC3=O)OC)CC4C(O2)(CC(C(C4(C)CCC(=O)O)C(C)(C)O)O)C |
| CAS | |
| Splash | |
| Other Names | 1H-Furo[3,4-b]xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo- |