Spektraris NMR
CHEMBL267935
Common Name: CHEMBL267935
Synonyms: CHEMBL267935
CAS Registry Number:
InChI: InChI=1S/C26H40O6/c1-16(12-15-30-18(3)27)10-11-21-17(2)22(31-19(4)28)23(32-20(5)29)24-25(6,7)13-9-14-26(21,24)8/h12,22-24H,9-11,13-15H2,1-8H3/b16-12+/t22-,23+,24-,26+/m0/s1
InChIKey: InChIKey=ZCSONGATRIIYBY-WBAUYTFCSA-N
Formula: C26H40O6
Molecular Weight: 448.593193
Exact Mass: 448.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - van Wyk, A.W.W., Gray, C.A., Whibley, C.E., Osoniyi, O., Hendricks, D.T., Caira, M.R., Davies-Coleman, M.T. J Nat Prod (2008) 71, 420-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 38.9 |
| 2 (CH2) | 19 |
| 3 (CH2) | 43.1 |
| 4 (C) | 33.4 |
| 5 (CH) | 49.2 |
| 6 (CH) | 69.6 |
| 7 (CH) | 73.4 |
| 8 (C) | 121.7 |
| 9 (C) | 147.7 |
| 10 (C) | 39.5 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 39.2 |
| 13 (C) | 142.3 |
| 14 (CH) | 118.1 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 16.6 |
| 17 (CH3) | 17 |
| 18 (CH3) | 33 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 21 |
| 6a (C) | 169.7 |
| 6b (CH3) | 21.5 |
| 7a (C) | 171.1 |
| 7b (CH3) | 21.1 |
| 15a (C) | 169.9 |
| 15b (CH3) | 21.2 |
