Spektraris NMR
Serrin C
Common Name: Serrin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(24)26-13-7-8-19(2,3)14-16(23)27-18(25-4)21(12,13)14/h11-14,16,18,23H,1,5-9H2,2-4H3/t11-,12-,13+,14-,16-,18-,20+,21+/m1/s1
InChIKey: InChIKey=ZOWUCBLBJJSKFF-KAKPMPKCSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, A.H., Zhang, Y., Xu, Z.H., Liu, J.W., Jia, W. Helv Chim Acta (2004) 87, 3160-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 75.8 |
| 2 (CH2) | 24 |
| 3 (CH2) | 37.5 |
| 4 (C) | 31.3 |
| 5 (CH) | 55.1 |
| 6 (CH) | 99.6 |
| 7 (C) | 171.9 |
| 8 (C) | 56.1 |
| 9 (CH) | 39 |
| 10 (C) | 51.6 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 30 |
| 13 (CH) | 34.6 |
| 14 (CH2) | 33 |
| 15 (C) | 197.5 |
| 16 (C) | 152.3 |
| 17 (CH2) | 115.8 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 23.5 |
| 20 (CH) | 108.7 |
| 20a (CH3) | 57 |
