Spektraris NMR
Sodwanone F
Common Name: Sodwanone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O6/c1-19-9-11-21-27(15-17-29(31,35-27)23(3,4)33-21)25(19,7)13-14-26(8)20(2)10-12-22-28(26)16-18-30(32,36-28)24(5,6)34-22/h19-22,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,25-,26-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=MFHINOOZRLRHCN-DFWGFNICSA-N
Formula: C30H50O6
Molecular Weight: 506.715544
Exact Mass: 506.360739
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Rudi, A., Kashman, Y., Benayahu, Y., Schleyer, M. J Nat Prod (1994) 57, 1416-23
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) | 76.7 |
| 3 (C) | 105.7 |
| 4 (CH2) | 24.2 |
| 5 (CH2) | 32.3 |
| 6 (C) | 89.3 |
| 7 (CH) | 70.6 |
| 8 (CH2) | 26.7 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 39.2 |
| 11 (C) | 40.9 |
| 12 (CH2) | 29.7 |
| 13 (CH2) | 29.9 |
| 14 (C) | 42 |
| 15 (CH) | 33.5 |
| 16 (CH2) | 26.5 |
| 17 (CH2) | 27.9 |
| 18 (CH) | 71.2 |
| 19 (C) | 88.4 |
| 20 (CH2) | 33.5 |
| 21 (CH2) | 24.4 |
| 22 (C) | 104.4 |
| 23 (C) | 77.1 |
| 24 (CH3) | 19.2 |
| 25 (CH3) | 24.6 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 15.4 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 17.2 |
| 30 (CH3) | 18.9 |
| 31 (CH3) | 24.6 |
