Spektraris NMR
Manoyloxide-18-O-a-L-arabinopyranoside triacetate
Common Name: Manoyloxide-18-O-a-L-arabinopyranoside triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O9/c1-9-29(6)15-11-24-30(7)14-10-13-28(5,23(30)12-16-31(24,8)40-29)18-36-27-26(39-21(4)34)25(38-20(3)33)22(17-35-27)37-19(2)32/h9,22-27H,1,10-18H2,2-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+/m0/s1
InChIKey: InChIKey=BOCYDJKNBDABEQ-NRSAQKRSSA-N
Formula: C31H48O9
Molecular Weight: 564.708613
Exact Mass: 564.329833
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ybarra, M.I., Popich, S., Borkosky, S.A., Asakawa, Y., Bardon, A. J Nat Prod (2005) 68, 554-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 35.8 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 38.6 |
| 4 (C) | 36.8 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 42.8 |
| 8 (C) | 74.9 |
| 9 (CH) | 55.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 15.3 |
| 12 (CH2) | 35.7 |
| 13 (C) | 73.2 |
| 14 (CH) | 147.8 |
| 15 (CH2) | 110.4 |
| 16 (CH3) | 28.4 |
| 17 (CH3) | 25.5 |
| 18 (CH2) | 79.3 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 15.7 |
| 1' (CH) | 101 |
| 2' (CH) | 69.3 |
| 3' (CH) | 69.5 |
| 4' (CH) | 67.1 |
| 5' (CH2) | 61.9 |
| 2'a (C) | 169.3 |
| 2'b (CH3) | 20.9 |
| 3'a (C) | 170.1 |
| 3'b (CH3) | 20.9 |
| 4'a (C) | 170.3 |
| 4'b (CH3) | 20.8 |
