Spektraris NMR
Tagalsin L
Common Name: Tagalsin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H60O3/c1-10-36(5)20-21-39(8)27(24-36)14-19-38(7)25(2)32(41)28(22-31(38)39)33(42)34(43)37(6)18-15-29-26(23-37)12-13-30-35(3,4)16-11-17-40(29,30)9/h10,23,27-31,33,42H,1-2,11-22,24H2,3-9H3/t27-,28-,29-,30-,31-,33?,36-,37+,38+,39-,40+/m0/s1
InChIKey: InChIKey=HABLYLGYDIJAPY-JYNSYZEQSA-N
Formula: C40H60O3
Molecular Weight: 588.904096
Exact Mass: 588.454246
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) | 38.7 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.2 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 35.95 |
| 8 (C) | 141.8 |
| 9 (CH) | 51.2 |
| 10 (C) | 38.2 |
| 11 (CH2) | 20 |
| 12 (CH2) | 36.7 |
| 13 (C) | 47.3 |
| 14 (CH) | 125.4 |
| 15 (C) | 215.1 |
| 16 (CH) | 77.7 |
| 17 (CH3) | 28 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 15.1 |
| 1' (CH2) | 22.85 |
| 2' (CH) | 49.4 |
| 3' (C) | 202.1 |
| 4' (C) | 151.7 |
| 5' (C) | 40.9 |
| 6' (CH2) | 37.2 |
| 7' (CH2) | 25.7 |
| 8' (CH) | 42.5 |
| 9' (C) | 38.1 |
| 10' (CH) | 52.7 |
| 11' (CH2) | 35.98 |
| 12' (CH2) | 31.7 |
| 13' (C) | 36.3 |
| 14' (CH2) | 38.8 |
| 15' (CH) | 150.9 |
| 16' (CH2) | 108.9 |
| 17' (CH3) | 22.89 |
| 18' (CH2) | 116.9 |
| 19' (CH3) | 33.1 |
| 20' (CH3) | 14.6 |
