Spektraris NMR
Sodwanone R
Common Name: Sodwanone R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18-9-12-26-30(8,16-14-25(33)28(5,6)34-26)20(18)10-11-21-19(2)22(31)17-23-27(3,4)24(32)13-15-29(21,23)7/h18,20,23,26H,9-17H2,1-8H3/t18-,20-,23+,26+,29-,30+/m1/s1
InChIKey: InChIKey=ACDNMVZAKAACAL-QAIIJLHWSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
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) | 218.5 |
| 4 (CH2) | 40.5 |
| 5 (CH2) | 40.2 |
| 6 (C) | 81.9 |
| 7 (CH) | 35.7 |
| 8 (CH2) | 31.1 |
| 9 (CH2) | 29.1 |
| 10 (CH) | 28.3 |
| 11 (CH) | 51.5 |
| 12 (CH2) | 25.8 |
| 13 (CH2) | 26.2 |
| 14 (C) | 165.9 |
| 15 (C) | 130.8 |
| 16 (C) | 198.6 |
| 17 (CH2) | 34.3 |
| 18 (CH) | 49.5 |
| 19 (C) | 41.4 |
| 20 (CH2) | 35.1 |
| 21 (CH2) | 35.3 |
| 22 (C) | 216.1 |
| 23 (C) | 47 |
| 24 (CH3) | 20.5 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 13.5 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 11.5 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 21.2 |
| 31 (CH3) | 25.4 |
