Spektraris NMR
Sodwanone U
Common Name: Sodwanone U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-17-9-10-23-29(8,14-12-22(32)28(6,7)35-23)20(17)11-15-30-16-13-21(31)27(4,5)26(30)25(34)24(33)18(2)19(30)3/h23,34H,9-16H2,1-8H3/t23-,29-,30?/m0/s1
InChIKey: InChIKey=YXSQKWSQGDLZRY-REVIUNNWSA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J., Fishback, J.A., Zhou, Y.D., Nagle, D.G. J Nat Prod (2006) 69, 1715-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sodwananes; 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 |
|---|---|
| 2 (C) | 82.7 |
| 3 (C) | 217.8 |
| 4 (CH2) | 35.6 |
| 5 (CH2) | 37.7 |
| 6 (C) | 42.3 |
| 7 (CH) | 79.5 |
| 8 (CH2) | 31.7 |
| 9 (CH2) | 26.9 |
| 10 (C) | 129 |
| 11 (C) | 135 |
| 12 (CH2) | 23.7 |
| 13 (CH2) | 35.4 |
| 14 (C) | 160 |
| 15 (C) | 127.8 |
| 16 (C) | 179.5 |
| 17 (C) | 145 |
| 18 (C) | 137.5 |
| 19 (C) | 46.1 |
| 20 (CH2) | 26.7 |
| 21 (CH2) | 37.6 |
| 22 (C) | 213 |
| 23 (C) | 48.1 |
| 24 (CH3) | 20.7 |
| 25 (CH3) | 26.9 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 19.7 |
| 28 (CH3) | 11.9 |
| 29 (CH3) | 24.2 |
| 30 (CH3) | 22.1 |
| 31 (CH3) | 24.8 |
