Spektraris NMR
CHEMBL464116
Common Name: CHEMBL464116
Synonyms: CHEMBL464116
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-9-24(7)11-16(30)20-25(8)12-17(33-13(2)27)21(31)23(5,6)18(25)10-19(34-14(3)28)26(20,32)22(24)35-15(4)29/h9,12,16,18-20,22,30,32H,1,10-11H2,2-8H3/t16-,18+,19-,20-,22+,24+,25+,26+/m1/s1
InChIKey: InChIKey=NGVCCVAPMLTLBG-PVWLZHGISA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nguyen, M.T., Awale, S., Tezuka, Y., Chien-Hsiung, C., Kadota, S. J Nat Prod (2004) 67, 654-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 147.9 |
| 2 (C) | 141.9 |
| 3 (C) | 196.9 |
| 4 (C) | 44.9 |
| 5 (CH) | 43.7 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 76.2 |
| 8 (C) | 75.7 |
| 9 (CH) | 46.9 |
| 10 (C) | 39.9 |
| 11 (CH) | 67.3 |
| 12 (CH2) | 41.8 |
| 13 (C) | 42.5 |
| 14 (CH) | 78.6 |
| 15 (CH) | 145.3 |
| 16 (CH2) | 111.6 |
| 17 (CH3) | 25.2 |
| 18 (CH3) | 30 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 19.8 |
| 2a (C) | 169.2 |
| 2b (CH3) | 20.4 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21.2 |
| 14a (C) | 169.7 |
| 14b (CH3) | 21.7 |
