Spektraris NMR
Sodwanone I
Common Name: Sodwanone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19(2)22(31)13-14-27(8)23-11-10-21(4)28(27,34-23)16-15-26(7)20(3)9-12-24-29(26)17-18-30(32,35-29)25(5,6)33-24/h19-21,23-24,32H,9-18H2,1-8H3/t20-,21-,23-,24-,26-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=UBCFXVARUDRMFD-MXBREBRCSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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) | 77.3 |
| 3 (C) | 105.4 |
| 4 (CH2) | 24 |
| 5 (CH2) | 32.3 |
| 6 (C) | 89.6 |
| 7 (CH) | 71 |
| 8 (CH2) | 28.2 |
| 9 (CH2) | 27.6 |
| 10 (CH) | 39.3 |
| 11 (C) | 40.8 |
| 12 (CH2) | 25.1 |
| 13 (CH2) | 30.9 |
| 14 (C) | 86.4 |
| 15 (CH) | 50.1 |
| 16 (CH2) | 26.1 |
| 17 (CH2) | 38.1 |
| 18 (CH) | 82.1 |
| 19 (C) | 50.8 |
| 20 (CH2) | 36.2 |
| 21 (CH2) | 24.5 |
| 22 (C) | 215 |
| 23 (CH) | 40.6 |
| 24 (CH3) | 24.4 |
| 25 (CH3) | 18.9 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 15.4 |
| 28 (CH3) | 13.5 |
| 29 (CH3) | 18.1 |
| 30 (CH3) | 18.3 |
| 31 (CH3) | 18.2 |
