Spektraris NMR
5-Deoxypulchelloside I hexaacetate
Common Name: 5-Deoxypulchelloside I hexaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O17/c1-11-20-21(24(42-15(5)33)22(11)40-13(3)31)18(27(36)37-8)9-39-28(20)46-29-26(44-17(7)35)25(43-16(6)34)23(41-14(4)32)19(45-29)10-38-12(2)30/h9,11,19-26,28-29H,10H2,1-8H3/t11-,19+,20+,21+,22+,23+,24-,25-,26+,28-,29-/m0/s1
InChIKey: InChIKey=ZQXQJWKWRIKAKO-VIRMHOHESA-N
Formula: C29H38O17
Molecular Weight: 658.602973
Exact Mass: 658.2109
NMR Solvent: CDCl3
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) | 93.72 |
| 3 (CH) | 151.69 |
| 4 (C) | 109.56 |
| 5 (CH) | 35.1 |
| 6 (CH) | 75.48 |
| 7 (CH) | 78.04 |
| 8 (CH) | 35.66 |
| 9 (CH) | 38.45 |
| 10 (CH3) | 13.09 |
| 11 (C) | 166.03 |
| 1' (CH) | 95.43 |
| 2' (CH) | 70.41 |
| 3' (CH) | 72.32 |
| 4' (CH) | 67.98 |
| 5' (CH) | 72.12 |
| 6' (CH2) | 61.56 |
| 6a (C) | 169.04 |
| 6b (CH3) | 20.08 |
| 7a (C) | 169.35 |
| 7b (CH3) | 20.57 |
| 11a (CH3) | 51.52 |
| 2'a (C) | 169.62 |
| 2'b (CH3) | 20.57 |
| 3'a (C) | 170.11 |
| 3'b (CH3) | 20.75 |
| 4'a (C) | 170.31 |
| 4'b (CH3) | 20.75 |
| 6'a (C) | 170.56 |
| 6'b (CH3) | 20.86 |
