Spektraris NMR
Sodwanone 0
Common Name: Sodwanone 0
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-19-9-11-23-27(7,15-14-22(31)25(3,4)33-23)21(19)13-16-28(8)20(2)10-12-24-29(28)17-18-30(32,34-24)26(5,6)35-29/h20,23-24,32H,9-18H2,1-8H3/t20-,23-,24-,27-,28+,29?,30?/m0/s1
InChIKey: InChIKey=WECFPKIAFKAKIX-LAOQTVKMSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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) | 82.6 |
| 3 (C) | 218 |
| 4 (CH2) | 35.7 |
| 5 (CH2) | 37.8 |
| 6 (C) | 42.3 |
| 7 (CH) | 79.9 |
| 8 (CH2) | 26.9 |
| 9 (CH2) | 31.8 |
| 10 (C) | 126.7 |
| 11 (C) | 137 |
| 12 (CH2) | 23.1 |
| 13 (CH2) | 34.6 |
| 14 (C) | 42.4 |
| 15 (CH) | 37.5 |
| 16 (CH2) | 26.4 |
| 17 (CH2) | 27.1 |
| 18 (CH) | 78.5 |
| 19 (C) | 75 |
| 20 (CH2) | 25 |
| 21 (CH2) | 28.4 |
| 22 (C) | 95.6 |
| 23 (C) | 78.6 |
| 24 (CH3) | 20.7 |
| 25 (CH3) | 23.6 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 17 |
| 29 (CH3) | 21.09 |
| 30 (CH3) | 26.1 |
| 31 (CH3) | 26.4 |
