Spektraris NMR
Sodwanone P
Common Name: Sodwanone P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19-13-14-29-21(10-12-22(32-29)24(3,4)34-29)26(19,7)15-16-27(8)20(2)9-11-23-28(27)17-18-30(31,33-23)25(5,6)35-28/h19-23,31H,9-18H2,1-8H3/t19-,20-,21?,22?,23-,26-,27+,28?,29?,30?/m0/s1
InChIKey: InChIKey=XLYJXKZIMRSICR-IKBXSQIESA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Yosief, T., Schleyer, M., Kashman, Y. Tetrahedron (1999) 55, 5555-66
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) | 78.6 |
| 3 (CH) | 81.3 |
| 4 (CH2) | 23.5 |
| 5 (CH2) | 17.1 |
| 6 (CH) | 42 |
| 7 (C) | 109.2 |
| 8 (CH2) | 28.1 |
| 9 (CH2) | 26.2 |
| 10 (CH) | 35 |
| 11 (C) | 40.3 |
| 12 (CH2) | 30.3 |
| 13 (CH2) | 37.4 |
| 14 (C) | 41.6 |
| 15 (CH) | 36.6 |
| 16 (CH2) | 26.4 |
| 17 (CH2) | 26.9 |
| 18 (CH) | 78.5 |
| 19 (C) | 75.2 |
| 20 (CH2) | 24.8 |
| 21 (CH2) | 28.5 |
| 22 (C) | 95.7 |
| 23 (C) | 78.4 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 29.1 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 15.7 |
| 28 (CH3) | 16.9 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 23.8 |
| 31 (CH3) | 26.2 |
