Spektraris NMR
Sodwanone V
Common Name: Sodwanone V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19-9-12-22-21(11-13-23(31)25(3,4)33-22)27(19,7)15-16-28(8)20(2)10-14-24-29(28)17-18-30(32,35-29)26(5,6)34-24/h11,19-20,22-24,31-32H,9-10,12-18H2,1-8H3/t19-,20-,22-,23-,24-,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=CYLJHDMRPKFBIE-MNCMBHHNSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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) | 77.8 |
| 3 (C) | 104.2 |
| 4 (CH2) | 23.8 |
| 5 (CH2) | 32.9 |
| 6 (C) | 88.7 |
| 7 (CH) | 71.3 |
| 8 (CH2) | 26.8 |
| 9 (CH2) | 28.8 |
| 10 (CH) | 33.5 |
| 11 (C) | 41.4 |
| 12 (CH2) | 26.4 |
| 13 (CH2) | 30.5 |
| 14 (C) | 43.7 |
| 15 (CH) | 42.1 |
| 16 (CH2) | 29.4 |
| 17 (CH2) | 36 |
| 18 (CH) | 71.7 |
| 19 (C) | 149 |
| 20 (CH) | 116 |
| 21 (CH2) | 30.1 |
| 22 (CH) | 78.7 |
| 23 (C) | 78.7 |
| 24 (CH3) | 18.7 |
| 25 (CH3) | 24.5 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 15.8 |
| 28 (CH3) | 16.5 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 20.2 |
| 31 (CH3) | 30.5 |
