Spektraris NMR
Langduin A
Common Name: Langduin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3/t12-,14+,16-,17+,19-,20-/m1/s1
InChIKey: InChIKey=BGNXBPPAQJJLSA-QEUCBDMBSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Ma, Q.G., Liu, W.Z., Wu, X.Y., Zhou, T.X., Qin, G.W. Phytochemistry (1997) 44, 663-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Tiglianes; 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) | 157.9 |
| 2 (C) | 142.7 |
| 3 (C) | 209 |
| 4 (C) | 74.7 |
| 5 (CH2) | 38.3 |
| 6 (C) | 135.1 |
| 7 (CH) | 127.2 |
| 8 (CH) | 45.8 |
| 9 (C) | 76.6 |
| 10 (CH) | 58.9 |
| 11 (CH) | 37.8 |
| 12 (CH2) | 48 |
| 13 (C) | 213.1 |
| 14 (CH) | 55.8 |
| 15 (CH) | 29 |
| 16 (CH3) | 22.1 |
| 17 (CH3) | 17.7 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 10.4 |
| 20 (CH2) | 69.2 |
