Spektraris NMR
Tagalsin N
Common Name: Tagalsin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H58O2/c1-10-36(5)18-19-39(8)27(23-36)14-17-38(7)25(2)34-28(20-32(38)39)30-21-29-26(22-37(30,6)24-33(41)42-34)12-13-31-35(3,4)15-11-16-40(29,31)9/h10,22,27,29,31-32H,1,11-21,23-24H2,2-9H3/t27-,29-,31-,32-,36-,37+,38+,39-,40+/m0/s1
InChIKey: InChIKey=LLWUOVYJENDSQI-PGPVMIIQSA-N
Formula: C40H58O2
Molecular Weight: 570.888809
Exact Mass: 570.443681
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, J.D., Qiu, Y., Yang, Z.W., Lin, P., Lin, Y.M. Helv Chim Acta (2008) 91, 2292-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 38.8 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.3 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 22.48 |
| 7 (CH2) | 35.7 |
| 8 (C) | 138.6 |
| 9 (CH) | 51.7 |
| 10 (C) | 38.1 |
| 11 (CH2) | 26.8 |
| 12 (C) | 127.1 |
| 13 (C) | 37.2 |
| 14 (CH) | 128.7 |
| 15 (CH2) | 33.4 |
| 16 (C) | 169.6 |
| 17 (CH3) | 28.3 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 14.4 |
| 1' (CH2) | 22.5 |
| 2' (C) | 147.5 |
| 3' (C) | 145.7 |
| 4' (C) | 125.8 |
| 5' (C) | 38.8 |
| 6' (CH2) | 37.4 |
| 7' (CH2) | 20.4 |
| 8' (CH) | 41.7 |
| 9' (C) | 38.1 |
| 10' (CH) | 54 |
| 11' (CH2) | 34.8 |
| 12' (CH2) | 31.8 |
| 13' (C) | 36.2 |
| 14' (CH2) | 38.9 |
| 15' (CH) | 150.9 |
| 16' (CH2) | 108.9 |
| 17' (CH3) | 23 |
| 18' (CH3) | 11.4 |
| 19' (CH3) | 31.4 |
| 20' (CH3) | 13 |
