Spektraris NMR
Tagalsin B
Common Name: Tagalsin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-5-17(2)8-9-18(3)13(11-17)6-7-19(4)15(18)10-14(21)16(22)20(19)12-23-20/h5,10,13,15,21H,1,6-9,11-12H2,2-4H3/t13-,15+,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=XJFGTYYCVFPPMQ-RDCAMWFPSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Y., Deng, Z., Gao, T., Proksch, P., Lin, W. Phytochemistry (2005) 66, 1465-71
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabranes; 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) | 119 |
| 2 (C) | 147.2 |
| 3 (C) | 191.9 |
| 4 (C) | 61.1 |
| 5 (C) | 36.9 |
| 6 (CH2) | 32 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 40 |
| 9 (C) | 39.1 |
| 10 (CH) | 54.7 |
| 11 (CH2) | 34.6 |
| 12 (CH2) | 31.5 |
| 13 (C) | 36.1 |
| 14 (CH2) | 39.2 |
| 15 (CH) | 150.4 |
| 16 (CH2) | 108.9 |
| 17 (CH3) | 22.6 |
| 18 (CH2) | 55.5 |
| 19 (CH3) | 29.2 |
| 20 (CH3) | 12.9 |
