Spektraris NMR
3-epi-Sodwanone K
Common Name: 3-epi-Sodwanone K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19-9-11-24-28(7,16-14-22(31)26(3,4)34-24)21(19)13-18-30(33)20(2)10-12-25-29(30,8)17-15-23(32)27(5,6)35-25/h20-22,24-25,31,33H,1,9-18H2,2-8H3/t20-,21+,22+,24-,25-,28-,29+,30-/m0/s1
InChIKey: InChIKey=IRCOVLVJMFRFTK-HDMCRKIGSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J., Fishback, J.A., Zhou, Y.D., Nagle, D.G. J Nat Prod (2006) 69, 1715-20
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) | 76.5 |
| 3 (CH) | 76.2 |
| 4 (CH2) | 25.8 |
| 5 (CH2) | 33.5 |
| 6 (C) | 43.2 |
| 7 (CH) | 75.4 |
| 8 (CH2) | 32.6 |
| 9 (CH2) | 35.3 |
| 10 (C) | 147 |
| 11 (CH) | 54.7 |
| 12 (CH2) | 19.7 |
| 13 (CH2) | 35.9 |
| 14 (C) | 77.8 |
| 15 (CH) | 33.2 |
| 16 (CH2) | 27.9 |
| 17 (CH2) | 29.8 |
| 18 (CH) | 75.9 |
| 19 (C) | 45 |
| 20 (CH2) | 32.4 |
| 21 (CH2) | 34.9 |
| 22 (C) | 218 |
| 23 (C) | 81.4 |
| 24 (CH3) | 21 |
| 25 (CH3) | 28.7 |
| 26 (CH3) | 11.8 |
| 27 (CH2) | 106.9 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 14.1 |
| 30 (CH3) | 20 |
| 31 (CH3) | 26.5 |
