Spektraris NMR
CHEMBL3262990
Common Name: CHEMBL3262990
Synonyms: CHEMBL3262990
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-15-6-9-20-23(4,19(15)8-7-18-11-13-28-22(18)27)12-10-21(30-17(3)26)24(20,5)14-29-16(2)25/h7-8,11,19-21H,1,6,9-10,12-14H2,2-5H3/b8-7+/t19-,20+,21-,23+,24+/m1/s1
InChIKey: InChIKey=AHUGTKWBEQJEAL-BFKTWKBOSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, T., Kuroyanagi, M., Sugiyama, S., Umehara, K., Ueno, A., Nishi, K. Chem Pharm Bull (1994) 42, 1216-25
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) | 38.3 |
| 2 (CH2) | 24.1 |
| 3 (CH) | 80 |
| 4 (C) | 41.3 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 36.7 |
| 8 (C) | 147.9 |
| 9 (CH) | 61.7 |
| 10 (C) | 38.6 |
| 11 (CH) | 135.6 |
| 12 (CH) | 121.4 |
| 13 (C) | 129.2 |
| 14 (CH) | 143.2 |
| 15 (CH2) | 69.5 |
| 16 (C) | 172.1 |
| 17 (CH2) | 109.2 |
| 18 (CH3) | 22.7 |
| 19 (CH2) | 64.8 |
| 20 (CH3) | 15.2 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21 |
| 19a (C) | 170.8 |
| 19b (CH3) | 21.2 |
