Spektraris NMR
Sodwanone Q
Common Name: Sodwanone Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19-9-13-23-27(3,4)24(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-26-30(22,8)18-16-25(32)28(5,6)33-26/h9,13,20,22-24,26,31H,10-12,14-18H2,1-8H3/t20-,22-,23+,24+,26+,29-,30+/m1/s1
InChIKey: InChIKey=AEKKIVGJEKXBHB-UNJIBNEDSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
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) | 82.4 |
| 3 (C) | 218 |
| 4 (CH2) | 35.3 |
| 5 (CH2) | 40.5 |
| 6 (C) | 41.3 |
| 7 (CH) | 82.3 |
| 8 (CH2) | 27.1 |
| 9 (CH2) | 32.3 |
| 10 (CH) | 28.7 |
| 11 (CH) | 51.3 |
| 12 (CH2) | 26.4 |
| 13 (CH2) | 25.9 |
| 14 (C) | 144.5 |
| 15 (C) | 124.8 |
| 16 (CH) | 125.7 |
| 17 (CH) | 130.4 |
| 18 (CH) | 46.5 |
| 19 (C) | 39 |
| 20 (CH2) | 27.9 |
| 21 (CH2) | 25.7 |
| 22 (CH) | 74.9 |
| 23 (C) | 37.3 |
| 24 (CH3) | 20.5 |
| 25 (CH3) | 26.5 |
| 26 (CH3) | 13.5 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 17.6 |
| 29 (CH3) | 15.1 |
| 30 (CH3) | 23.3 |
| 31 (CH3) | 27 |
