Spektraris NMR
Sodwanone N
Common Name: Sodwanone N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O6/c1-19-9-11-23(32)27(7,15-14-22(31)25(3,4)33)21(19)13-16-28(8)20(2)10-12-24-29(28)17-18-30(34,35-24)26(5,6)36-29/h19-22,24,31,33-34H,9-18H2,1-8H3/t19-,20-,21-,22?,24-,27-,28+,29?,30?/m0/s1
InChIKey: InChIKey=SMXSFELFGYKZSJ-QAIGGFLESA-N
Formula: C30H52O6
Molecular Weight: 508.731426
Exact Mass: 508.376389
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) | 72.5 |
| 3 (CH) | 78.7 |
| 4 (CH2) | 26 |
| 5 (CH2) | 30.5 |
| 6 (C) | 52.8 |
| 7 (C) | 213.5 |
| 8 (CH2) | 38.2 |
| 9 (CH2) | 35.4 |
| 10 (CH) | 33.3 |
| 11 (CH) | 56.5 |
| 12 (CH2) | 24.8 |
| 13 (CH2) | 38.6 |
| 14 (C) | 42.4 |
| 15 (CH) | 38.2 |
| 16 (CH2) | 26.5 |
| 17 (CH2) | 27.1 |
| 18 (CH) | 78.2 |
| 19 (C) | 75.2 |
| 20 (CH2) | 25.2 |
| 21 (CH2) | 28.7 |
| 22 (C) | 95.4 |
| 23 (C) | 79 |
| 24 (CH3) | 23 |
| 25 (CH3) | 26.3 |
| 26 (CH3) | 21.4 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 18.4 |
| 30 (CH3) | 23.8 |
| 31 (CH3) | 26.3 |
