Spektraris NMR
Sodwanone E
Common Name: Sodwanone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19-11-18-30-27(7,16-14-23(34-30)26(5,6)35-30)21(19)12-17-29(32)20(2)9-10-24-28(29,8)15-13-22(31)25(3,4)33-24/h19-21,23-24,32H,9-18H2,1-8H3/t19-,20+,21-,23-,24+,27+,28-,29+,30-/m1/s1
InChIKey: InChIKey=VTTBRKPIECMXEP-XCTSCOOCSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Aknin, M., Gaydou, E.M., Kashman, Y. J Nat Prod (1997) 60, 700-3
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) | 78.9 |
| 3 (CH) | 80.6 |
| 4 (CH2) | 29.9 |
| 5 (CH2) | 32.1 |
| 6 (C) | 41.3 |
| 7 (C) | 110.1 |
| 8 (CH2) | 22.7 |
| 9 (CH2) | 28 |
| 10 (CH) | 29.7 |
| 11 (CH) | 48.1 |
| 12 (CH2) | 20.5 |
| 13 (CH2) | 35.1 |
| 14 (C) | 77.6 |
| 15 (CH) | 33.3 |
| 16 (CH2) | 28.7 |
| 17 (CH2) | 30.5 |
| 18 (CH) | 76.1 |
| 19 (C) | 45.5 |
| 20 (CH2) | 32.9 |
| 21 (CH2) | 35.4 |
| 22 (C) | 215.8 |
| 23 (C) | 81.6 |
| 24 (CH3) | 20.7 |
| 25 (CH3) | 28.2 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 14.7 |
| 28 (CH3) | 15.5 |
| 29 (CH3) | 14.4 |
| 30 (CH3) | 20.4 |
| 31 (CH3) | 26.7 |
