Spektraris NMR
3,15,19-Trihydroxy-ent-labda-8(17)13-dien-16-oic
Common Name: 3,15,19-Trihydroxy-ent-labda-8(17)13-dien-16-oic
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-13-4-7-16-19(2,10-8-17(23)20(16,3)12-22)15(13)6-5-14(9-11-21)18(24)25/h9,15-17,21-23H,1,4-8,10-12H2,2-3H3,(H,24,25)/b14-9-/t15-,16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=SSCXIOHKJCIXKI-WKWKDWJHSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
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) | 37.3 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 80 |
| 4 (C) | 43.3 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 38.4 |
| 8 (C) | 148.3 |
| 9 (CH) | 56.7 |
| 10 (C) | 39.3 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 32.3 |
| 13 (C) | 130.6 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 61.6 |
| 16 (C) | 170.5 |
| 17 (CH2) | 108.5 |
| 18 (CH3) | 23.8 |
| 19 (CH2) | 64.3 |
| 20 (CH3) | 15.4 |
