Spektraris NMR
16-Hydroxy-8(17),13-ent-labdadien-15,16-olid-19-oic acid
Common Name: 16-Hydroxy-8(17),13-ent-labdadien-15,16-olid-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-5-8-15-19(2,9-4-10-20(15,3)18(23)24)14(12)7-6-13-11-16(21)25-17(13)22/h11,14-15,17,22H,1,4-10H2,2-3H3,(H,23,24)/t14-,15+,17?,19+,20-/m1/s1
InChIKey: InChIKey=GZTUAPFQPZVTGA-XMJULSTGSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Waridel, P., Wolfender, J.L., Lachavanne, J.B., Hostettmann, K. Phytochemistry (2003) 64, 1309-17
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) | 40.5 |
| 2 (CH2) | 21.2 |
| 3 (CH2) | 39.4 |
| 4 (C) | 45.1 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 27.6 |
| 7 (CH2) | 39.8 |
| 8 (C) | 149.3 |
| 9 (CH) | 57.2 |
| 10 (C) | 41.6 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 27.9 |
| 13 (C) | 173.6 |
| 14 (CH) | 117.6 |
| 15 (C) | 173.6 |
| 16 (CH) | 101.5 |
| 17 (CH2) | 107 |
| 18 (CH3) | 29.6 |
| 19 (C) | 181.1 |
| 20 (CH3) | 13.3 |
