Spektraris NMR
Tagalsin M
Common Name: Tagalsin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H58O2/c1-10-36(5)20-21-39(8)29(25-36)14-19-38(7)26(2)34(42)28(22-32(38)39)23-33(41)37(6)18-15-30-27(24-37)12-13-31-35(3,4)16-11-17-40(30,31)9/h10,22,24,29-32H,1-2,11-21,23,25H2,3-9H3/t29-,30-,31-,32-,36-,37+,38+,39-,40+/m0/s1
InChIKey: InChIKey=CZXDAISNLIWUGZ-LUFTZXRNSA-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) | 38.9 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.3 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 22.6 |
| 7 (CH2) | 35.9 |
| 8 (C) | 140.9 |
| 9 (CH) | 51.1 |
| 10 (C) | 38.7 |
| 11 (CH2) | 20.1 |
| 12 (CH2) | 32.5 |
| 13 (C) | 49 |
| 14 (CH) | 125.5 |
| 15 (C) | 211.7 |
| 16 (CH2) | 41.2 |
| 17 (CH3) | 27.1 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 22 |
| 20 (CH3) | 14.4 |
| 1' (CH) | 147.6 |
| 2' (C) | 135 |
| 3' (C) | 187.6 |
| 4' (C) | 150 |
| 5' (C) | 40.8 |
| 6' (CH2) | 36.5 |
| 7' (CH2) | 25.5 |
| 8' (CH) | 40.9 |
| 9' (C) | 40.4 |
| 10' (CH) | 57.5 |
| 11' (CH2) | 35.5 |
| 12' (CH2) | 31.7 |
| 13' (C) | 36.4 |
| 14' (CH2) | 39.5 |
| 15' (CH) | 150.8 |
| 16' (CH2) | 108.8 |
| 17' (CH3) | 23 |
| 18' (CH2) | 116.9 |
| 19' (CH3) | 33.7 |
| 20' (CH3) | 12 |
