Spektraris NMR
Lupulin C
Common Name: Lupulin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-14-7-6-8-19-23(5,20-12-18-9-10-27-22(18)30-20)15(2)11-21(29-17(4)26)24(14,19)13-28-16(3)25/h15,18-22H,1,6-13H2,2-5H3/t15-,18-,19-,20+,21+,22+,23+,24+/m1/s1
InChIKey: InChIKey=NOYNFBROYZGYIW-NHLXNQAHSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, H., Tan, R.X., Liu, Z.L., Zhang, Y., Yang, L. J Nat Prod (1996) 59, 668-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 22.7 |
| 2 (CH2) | 28.6 |
| 3 (CH2) | 32.2 |
| 4 (C) | 151.6 |
| 5 (C) | 48.7 |
| 6 (CH) | 75.4 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 35.8 |
| 9 (C) | 40.9 |
| 10 (CH) | 42.1 |
| 11 (CH) | 85.5 |
| 12 (CH2) | 32.6 |
| 13 (CH) | 49.9 |
| 14 (CH2) | 34 |
| 15 (CH2) | 68.4 |
| 16 (CH) | 107.7 |
| 17 (CH3) | 16.4 |
| 18 (CH2) | 106.4 |
| 19 (CH2) | 61.2 |
| 20 (CH3) | 14.4 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.2 |
| 19a (C) | 170.9 |
| 19b (CH3) | 21.2 |
