Spektraris NMR
Sodwanone S
Common Name: Sodwanone S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19-9-11-21-20(10-12-23(31)26(2,3)34-21)28(19,6)16-13-22-29(7)17-14-24(32)27(4,5)35-25(29)15-18-30(22,8)33/h10,19,21-23,25,31,33H,9,11-18H2,1-8H3/t19-,21-,22-,23-,25-,28-,29-,30-/m0/s1
InChIKey: InChIKey=KKTMKQNIICOHDR-UDZSLJHISA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Funel-Le Bon, C., Berrue, F., Thomas, O.P., Reyes, F., Amade, P. J Nat Prod (2005) 68, 1284-7
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) | 82.7 |
| 3 (C) | 217.8 |
| 4 (CH2) | 35.3 |
| 5 (CH2) | 40.5 |
| 6 (C) | 42.1 |
| 7 (CH) | 81.4 |
| 8 (CH2) | 28.8 |
| 9 (CH2) | 40.1 |
| 10 (C) | 73.2 |
| 11 (CH) | 57.7 |
| 12 (CH2) | 20.1 |
| 13 (CH2) | 34.4 |
| 14 (C) | 43.9 |
| 15 (CH) | 42.1 |
| 16 (CH2) | 28.6 |
| 17 (CH2) | 36.2 |
| 18 (CH) | 71.1 |
| 19 (C) | 148.8 |
| 20 (CH) | 115.8 |
| 21 (CH2) | 30.2 |
| 22 (CH) | 78.8 |
| 23 (C) | 77.6 |
| 24 (CH3) | 20.7 |
| 25 (CH3) | 26.7 |
| 26 (CH3) | 12.6 |
| 27 (CH3) | 23.7 |
| 28 (CH3) | 16.7 |
| 29 (CH3) | 22.7 |
| 30 (CH3) | 19.9 |
| 31 (CH3) | 29.9 |
