Spektraris NMR
Sorangiadenosine
Common Name: Sorangiadenosine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H37N5O4/c1-14(2)15-6-9-24(3)7-5-8-25(4,17(24)10-15)29-21-18-22(27-12-26-21)30(13-28-18)23-20(33)19(32)16(11-31)34-23/h12-13,15-17,19-20,23,31-33H,1,5-11H2,2-4H3,(H,26,27,29)/t15-,16-,17-,19-,20-,23-,24-,25-/m1/s1
InChIKey: InChIKey=DYEGAZNMBIYWDG-REFJUFQVSA-N
Formula: C25H37N5O4
Molecular Weight: 471.59354
Exact Mass: 471.284555
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ahn, J.W., Jang, K.H., Chung, S.C., Oh, K.B., Shin, J. Org Lett (2008) 10, 1167-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 |
|---|---|
| 1 (CH2) | 40.3 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 36.7 |
| 4 (C) | 57.8 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 26 |
| 7 (CH) | 45.5 |
| 8 (CH2) | 26.7 |
| 9 (CH2) | 44.8 |
| 10 (C) | 34.2 |
| 11 (C) | 149.9 |
| 12 (CH3) | 20.6 |
| 13 (CH2) | 108.5 |
| 14 (CH3) | 19.2 |
| 15 (CH3) | 20.5 |
| 2' (CH) | 151.5 |
| 4' (C) | 148 |
| 5' (C) | 120.3 |
| 6' (C) | 154.3 |
| 8' (CH) | 139.6 |
| 1'' (CH) | 88 |
| 2'' (CH) | 73.4 |
| 3'' (CH) | 70.6 |
| 4'' (CH) | 85.8 |
| 5'' (CH2) | 61.6 |
