Spektraris NMR
Sodwanone W
Common Name: Sodwanone W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-19(2)23(31)15-16-29(8)26-14-10-21(4)30(29,34-26)18-17-28(7)20(3)9-12-24-22(28)11-13-25(32)27(5,6)33-24/h11,19-21,24-26,32H,9-10,12-18H2,1-8H3/t20-,21+,24-,25-,26+,28-,29+,30+/m1/s1
InChIKey: InChIKey=CCLJSTWMWKJZGE-BXDBUBMKSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
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) | 77.5 |
| 3 (CH) | 77.8 |
| 4 (CH2) | 30.4 |
| 5 (CH) | 115.3 |
| 6 (C) | 149 |
| 7 (CH) | 71.9 |
| 8 (CH2) | 36.1 |
| 9 (CH2) | 28.7 |
| 10 (CH) | 42.2 |
| 11 (C) | 42.9 |
| 12 (CH2) | 25.8 |
| 13 (CH2) | 29.6 |
| 14 (C) | 86.5 |
| 15 (CH) | 51.1 |
| 16 (CH2) | 26.2 |
| 17 (CH2) | 38 |
| 18 (CH) | 82 |
| 19 (C) | 49.5 |
| 20 (CH2) | 36.1 |
| 21 (CH2) | 24.8 |
| 22 (C) | 215 |
| 23 (CH) | 40.6 |
| 24 (CH3) | 19.5 |
| 25 (CH3) | 29.8 |
| 26 (CH3) | 22.7 |
| 27 (CH3) | 16.4 |
| 28 (CH3) | 13.5 |
| 29 (CH3) | 18.1 |
| 30 (CH3) | 18.3 |
| 31 (CH3) | 18.3 |
