Spektraris NMR
Suregadolide C
Common Name: Suregadolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-9-15-11(25-17(9)23)6-13-18(2)5-4-10-8-19(10,3)12(18)7-14(21)20(13,24)16(15)22/h10-14,16,21-22,24H,4-8H2,1-3H3/t10-,11-,12+,13+,14-,16+,18-,19+,20+/m1/s1
InChIKey: InChIKey=OGQHKGNLUBCRDN-AXZPYZERSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Jahan, I.A., Nahar, N., Mosihuzzaman, M., Shaheen, F., Atta Ur, R., Choudhary, M.I. J Nat Prod (2004) 67, 1789-95
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 33.2 |
| 2 (CH2) | 19.8 |
| 3 (CH) | 20.5 |
| 4 (C) | 16.9 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 69.9 |
| 8 (C) | 76.6 |
| 9 (CH) | 42.5 |
| 10 (C) | 37.3 |
| 11 (CH2) | 27.9 |
| 12 (CH) | 79.4 |
| 13 (C) | 164 |
| 14 (CH) | 64.9 |
| 15 (C) | 126 |
| 16 (C) | 177.6 |
| 17 (CH3) | 8.5 |
| 18 (CH2) | 22.5 |
| 19 (CH3) | 24.9 |
| 20 (CH3) | 13.3 |
