Spektraris NMR
3,19-Dihydroxy-ent-labda-8(17),12-dien-16,15-olide
Common Name: 3,19-Dihydroxy-ent-labda-8(17),12-dien-16,15-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,15-17,21-22H,1,4,6-12H2,2-3H3/b14-5+/t15-,16+,17+,19-,20-/m0/s1
InChIKey: InChIKey=VFAUHRWHZPEKBY-HOHGAXEVSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 37.2 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 79.9 |
| 4 (C) | 43.3 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 38.2 |
| 8 (C) | 148.2 |
| 9 (CH) | 56.1 |
| 10 (C) | 39.2 |
| 11 (CH2) | 25.8 |
| 12 (CH) | 141 |
| 13 (C) | 126.1 |
| 14 (CH2) | 25.4 |
| 15 (CH2) | 65.6 |
| 16 (C) | 171.3 |
| 17 (CH2) | 108 |
| 18 (CH3) | 23.8 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 15.2 |
