Spektraris NMR
Sodwanone H
Common Name: Sodwanone H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17-9-12-23-29(7,15-14-22(32)28(5,6)35-23)19(17)10-11-20-18(2)24(33)25(34)26-27(3,4)21(31)13-16-30(20,26)8/h17,19,21,23,25-26,31,34H,9-16H2,1-8H3/t17-,19-,21-,23+,25?,26+,29+,30-/m1/s1
InChIKey: InChIKey=KGPPNUGRFFTOHW-KKMFONHVSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Goldberg, I., Stein, Z., Kashman, Y., Benayahu, Y., Schleyer, M., Garcia Gravalos, M.D. J Nat Prod (1995) 58, 1702-12
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 |
| 3 (C) | 217.8 |
| 4 (CH2) | 35.1 |
| 5 (CH2) | 40.4 |
| 6 (C) | 40.3 |
| 7 (CH) | 82 |
| 8 (CH2) | 31.1 |
| 9 (CH2) | 28.2 |
| 10 (CH) | 28.6 |
| 11 (CH) | 51.6 |
| 12 (CH2) | 25.8 |
| 13 (CH2) | 28.6 |
| 14 (C) | 168.5 |
| 15 (C) | 129.4 |
| 16 (C) | 200 |
| 17 (CH) | 34.5 |
| 18 (CH) | 43.3 |
| 19 (C) | 41.3 |
| 20 (CH2) | 27.3 |
| 21 (CH2) | 25.2 |
| 22 (CH) | 74.9 |
| 23 (C) | 37.3 |
| 24 (CH3) | 20.4 |
| 25 (CH3) | 26 |
| 26 (CH3) | 13.4 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 11.3 |
| 29 (CH3) | 17.8 |
| 30 (CH3) | 21.6 |
| 31 (CH3) | 26.4 |
