Spektraris NMR
Sodwanone T
Common Name: Sodwanone T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-19-9-13-25-29(7,17-15-23(31)27(3,4)33-25)21(19)11-12-22-20(2)10-14-26-30(22,8)18-16-24(32)28(5,6)34-26/h23,25-26,31H,9-18H2,1-8H3/t23-,25+,26+,29+,30+/m1/s1
InChIKey: InChIKey=QIHDWGQIJFJMLV-NEIAQIOGSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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) | 77.9 |
| 3 (CH) | 77 |
| 4 (CH2) | 25.9 |
| 5 (CH2) | 32.6 |
| 6 (C) | 43 |
| 7 (CH) | 74.9 |
| 8 (CH2) | 27.4 |
| 9 (CH2) | 32.1 |
| 10 (C) | 126.8 |
| 11 (C) | 137.9 |
| 12 (CH2) | 29.2 |
| 13 (CH2) | 29.2 |
| 14 (C) | 137 |
| 15 (C) | 127.2 |
| 16 (CH2) | 32 |
| 17 (CH2) | 27.1 |
| 18 (CH) | 79.9 |
| 19 (C) | 42.2 |
| 20 (CH2) | 37.9 |
| 21 (CH2) | 35.8 |
| 22 (C) | 218 |
| 23 (C) | 82.6 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 29 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 20.5 |
| 28 (CH3) | 20.5 |
| 29 (CH3) | 17.8 |
| 30 (CH3) | 20.8 |
| 31 (CH3) | 26.7 |
