Spektraris NMR
Sodwanone A
Common Name: Sodwanone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O6/c1-17-18(28(6)14-11-20(31)26(2,3)25(28)24(34)23(17)33)9-10-19-29(7)15-12-21(32)27(4,5)36-22(29)13-16-30(19,8)35/h19,22,34-35H,9-16H2,1-8H3/t19-,22-,28+,29-,30-/m0/s1
InChIKey: InChIKey=JSDOSRZMMGXYIQ-WTFRGCPCSA-N
Formula: C30H44O6
Molecular Weight: 500.6679
Exact Mass: 500.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Kashman, Y., Benayahu, Y., Schleyer, M. J Nat Prod (1994) 57, 1416-23
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 |
| 3 (C) | 218 |
| 4 (CH2) | 35 |
| 5 (CH2) | 40.6 |
| 6 (C) | 42 |
| 7 (CH) | 80.9 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 41.5 |
| 10 (C) | 73.5 |
| 11 (CH) | 57.5 |
| 12 (CH2) | 28.7 |
| 13 (CH2) | 33.9 |
| 14 (C) | 164.7 |
| 15 (C) | 128.8 |
| 16 (C) | 181.5 |
| 17 (C) | 141.8 |
| 18 (C) | 137.6 |
| 19 (C) | 42.9 |
| 20 (CH2) | 27.6 |
| 21 (CH2) | 32.6 |
| 22 (C) | 216 |
| 23 (C) | 49 |
| 24 (CH3) | 20.4 |
| 25 (CH3) | 26.3 |
| 26 (CH3) | 12.1 |
| 27 (CH3) | 23.6 |
| 28 (CH3) | 12 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 20.8 |
| 31 (CH3) | 24.3 |
