Spektraris NMR
3,19-Dihydroxy-15-methoxy-ent-labda-8(17)13-trien-16,15-olide
Common Name: 3,19-Dihydroxy-15-methoxy-ent-labda-8(17)13-trien-16,15-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-13-5-8-16-20(2,10-9-17(23)21(16,3)12-22)15(13)7-6-14-11-18(25-4)26-19(14)24/h6-7,11,15-18,22-23H,1,5,8-10,12H2,2-4H3/b7-6+/t15-,16-,17-,18?,20+,21+/m1/s1
InChIKey: InChIKey=CNXJVKMKGPSCDO-GKXWFIEFSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, L.X., Qiu, F., Wei, H., Qu, G.X., Yao, X.S. Helv Chim Acta (2006) 89, 2654-64
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 28.9 |
| 3 (CH) | 80.1 |
| 4 (C) | 43.4 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 37 |
| 8 (C) | 149 |
| 9 (CH) | 61.8 |
| 10 (C) | 39.1 |
| 11 (CH) | 138.6 |
| 12 (CH) | 121.4 |
| 13 (C) | 132.7 |
| 14 (CH) | 141.5 |
| 15 (CH) | 102.9 |
| 16 (C) | 170.2 |
| 17 (CH2) | 108.9 |
| 18 (CH3) | 23.7 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 16 |
| 15a (CH3) | 56.5 |
