Spektraris NMR
lupulin D
Common Name: lupulin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O8/c1-14-9-20(31-16(3)27)25(13-29-15(2)26)18(7-6-8-24(25)12-30-24)23(14,4)19-10-17-11-21(28-5)33-22(17)32-19/h14,17-22H,6-13H2,1-5H3/t14-,17+,18-,19+,20+,21-,22-,23+,24+,25+/m1/s1
InChIKey: InChIKey=AGLAWXFGJLACPC-KFWXHRTBSA-N
Formula: C25H38O8
Molecular Weight: 466.565385
Exact Mass: 466.256668
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) | 22.1 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 38 |
| 4 (C) | 65 |
| 5 (C) | 45.6 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 36.1 |
| 9 (C) | 40.1 |
| 10 (CH) | 48.5 |
| 11 (CH) | 83.5 |
| 12 (CH2) | 32.2 |
| 13 (CH) | 39.9 |
| 14 (CH2) | 32.7 |
| 15 (CH) | 104.8 |
| 16 (CH) | 107.2 |
| 17 (CH3) | 16.4 |
| 18 (CH2) | 48.4 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 13.9 |
| 6a (C) | 170 |
| 6b (CH3) | 21.1 |
| 15a (CH3) | 54.6 |
| 19a (C) | 170.8 |
| 19b (CH3) | 21.1 |
