Spektraris NMR
Serrin A
Common Name: Serrin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-5-26-17-15-20(3,4)9-8-14-22(15,19(25)28-17)13-7-6-12-10-21(13,18(24)27-14)16(23)11(12)2/h12-15,17,19,25H,2,5-10H2,1,3-4H3/t12-,13-,14+,15-,17-,19-,21+,22+/m1/s1
InChIKey: InChIKey=BYOLCBRZEMRXHS-HFSCRCRLSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
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) | 76.1 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 37.5 |
| 4 (C) | 31.3 |
| 5 (CH) | 54.6 |
| 6 (CH) | 103.8 |
| 7 (C) | 172.5 |
| 8 (C) | 56.1 |
| 9 (CH) | 38.4 |
| 10 (C) | 50.7 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 30.2 |
| 13 (CH) | 32.8 |
| 14 (CH2) | 34.7 |
| 15 (C) | 197.5 |
| 16 (C) | 152.7 |
| 17 (CH2) | 115.4 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 23.5 |
| 20 (CH) | 101.1 |
| 6a (CH2) | 62.3 |
| 6b (CH3) | 15.5 |
