Spektraris NMR
Neocaesalpins H
Common Name: Neocaesalpins H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-11-12-5-6-15-18(2,7-4-8-19(15,3)17(22)23)14(12)10-20(24)13(11)9-16(21)25-20/h9,11-12,14-15,24H,4-8,10H2,1-3H3,(H,22,23)/t11-,12+,14+,15-,18-,19-,20-/m1/s1
InChIKey: InChIKey=YWQJKAJFLCNHPB-LXTJJRHQSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kinoshita, T., Haga, Y., Narimatsu, S., Shimada, M., Goda, Y. Chem Pharm Bull (2005) 53, 717-20
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 38.79 |
| 2 (CH2) | 18.44 |
| 3 (CH2) | 37.48 |
| 4 (C) | 47.44 |
| 5 (CH) | 49.62 |
| 6 (CH2) | 24.47 |
| 7 (CH2) | 30.71 |
| 8 (CH) | 41.09 |
| 9 (CH) | 45.87 |
| 10 (C) | 36.66 |
| 11 (CH2) | 38.84 |
| 12 (C) | 106.86 |
| 13 (C) | 174.46 |
| 14 (CH) | 36.97 |
| 15 (CH) | 113.22 |
| 16 (C) | 171.38 |
| 17 (CH3) | 13.19 |
| 18 (C) | 181.17 |
| 19 (CH3) | 17.61 |
| 20 (CH3) | 14.6 |
