Spektraris NMR
Suremulide
Common Name: Suremulide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-10-15-11(25-17(10)23)9-13-19(4)7-6-14(21)18(2,3)12(19)5-8-20(13,24)16(15)22/h11-14,16,21-22,24H,5-9H2,1-4H3/t11-,12+,13+,14-,16-,19-,20+/m1/s1
InChIKey: InChIKey=HCVBKGBJSGCCTM-GGSBOFIFSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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 : Abietanes; 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) | 39.9 |
| 2 (CH2) | 27 |
| 3 (CH) | 78.3 |
| 4 (C) | 38.5 |
| 5 (CH) | 54.2 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 41.7 |
| 8 (C) | 74 |
| 9 (CH) | 56.1 |
| 10 (C) | 38.5 |
| 11 (CH2) | 28.4 |
| 12 (CH) | 77.3 |
| 13 (C) | 163 |
| 14 (CH) | 71.9 |
| 15 (C) | 122 |
| 16 (C) | 176 |
| 17 (CH3) | 7.5 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 15.4 |
| 20 (CH3) | 16 |
