Spektraris NMR
5-Deoxypulchelloside I
Common Name: 5-Deoxypulchelloside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O11/c1-5-8-9(12(21)10(5)19)6(15(24)25-2)4-26-16(8)28-17-14(23)13(22)11(20)7(3-18)27-17/h4-5,7-14,16-23H,3H2,1-2H3/t5-,7+,8+,9+,10+,11+,12-,13-,14+,16-,17-/m0/s1
InChIKey: InChIKey=QDEYKGKBMCIYCT-FNUQUBLCSA-N
Formula: C17H26O11
Molecular Weight: 406.382424
Exact Mass: 406.147512
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Ayers, S., Sneden, A.T. J Nat Prod (2002) 65, 1621-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 95.52 |
| 3 (CH) | 153.04 |
| 4 (C) | 109.92 |
| 5 (CH) | 36.79 |
| 6 (CH) | 76.15 |
| 7 (CH) | 78.34 |
| 8 (CH) | 36.94 |
| 9 (CH) | 38.78 |
| 10 (CH3) | 12.82 |
| 11 (C) | 169.29 |
| 1' (CH) | 98.34 |
| 2' (CH) | 72.66 |
| 3' (CH) | 76.42 |
| 4' (CH) | 69.67 |
| 5' (CH) | 75.67 |
| 6' (CH2) | 60.8 |
| 11a (CH3) | 52.07 |
