4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-α-D-mannopyranoside
8081
Reference
4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-α-D-mannopyranoside Structure
Systematic / IUPAC Name: (2R,3S,4S,5S,6R)-2-{4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triol
ID: Reference8081
Other Names: α-D-Mannopyranoside, 4-[2,3-dihydro-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2-benzofuranyl]-2-methoxyphenyl 6-deoxy-
Formula: C25H32O10
Spectral Data
4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-α-D-mannopyranoside 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 | 6/18/2018 6:59:27 AM |
Identificators
| InChI | InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16?,20-,21+,22+,23?,25-/m1/s1 |
| InChI Key | PHHIEOZUONPPQY-AIVHQYJCSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3C(C4=CC(=CC(=C4O3)O)CCCO)CO)OC)O)O)O |
| CAS | |
| Splash | |
| Other Names | α-D-Mannopyranoside, 4-[2,3-dihydro-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2-benzofuranyl]-2-methoxyphenyl 6-deoxy- |