Spektraris NMR
Walsuronoid A
Common Name: Walsuronoid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O10/c1-17(33)38-22-13-29(6)21(20-10-11-37-15-20)8-9-23(29)30(7)25(39-18(2)34)12-24-28(4,5)41-42-31(36)14-26(40-19(3)35)32(24,16-31)27(22)30/h9-11,15,21-22,24-27,36H,8,12-14,16H2,1-7H3/t21-,22-,24-,25+,26-,27-,29-,30+,31+,32+/m0/s1
InChIKey: InChIKey=DQYDZOXSVLRFSU-LYHZLXSUSA-N
Formula: C32H42O10
Molecular Weight: 586.67111
Exact Mass: 586.277798
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yin, S., Wang, X.N., Fan, C.Q., Liao, S.G., Yue, J.M. Org Lett (2007) 9, 2353-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 77.8 |
| 2 (CH2) | 43.5 |
| 3 (C) | 111.5 |
| 4 (C) | 84.7 |
| 5 (CH) | 45.6 |
| 6 (CH2) | 27.8 |
| 7 (CH) | 76.3 |
| 8 (C) | 41.9 |
| 9 (CH) | 40.4 |
| 10 (C) | 52.8 |
| 11 (CH) | 71 |
| 12 (CH2) | 43.6 |
| 13 (C) | 46.4 |
| 14 (C) | 158.4 |
| 15 (CH) | 120.5 |
| 16 (CH2) | 34.9 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 20.4 |
| 19 (CH2) | 44.3 |
| 20 (C) | 125.2 |
| 21 (CH) | 140.8 |
| 22 (CH) | 111.9 |
| 23 (CH) | 143.6 |
| 28 (CH3) | 25.2 |
| 29 (CH3) | 29.5 |
| 30 (CH3) | 27.8 |
| 1a (C) | 171.5 |
| 1b (CH3) | 21.4 |
| 7a (C) | 169.8 |
| 7b (CH3) | 21 |
| 11a (C) | 170.2 |
| 11b (CH3) | 21.1 |
