Spektraris NMR
6a-Hydroxy-ent-labd-8(17)-en-15-oic acid
Common Name: 6a-Hydroxy-ent-labd-8(17)-en-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-13(11-17(22)23)7-8-15-14(2)12-16(21)18-19(3,4)9-6-10-20(15,18)5/h13,15-16,18,21H,2,6-12H2,1,3-5H3,(H,22,23)/t13?,15-,16+,18-,20+/m1/s1
InChIKey: InChIKey=BSZUNJHZYYNYOE-UJCDJWNRSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Faini, F., Labbe, C., Torres, R., Delle Monache, F., Delle Monache, G. Phytochemistry (1999) 52, 1547-50
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) | 43.9 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 42 |
| 4 (C) | 34.4 |
| 5 (CH) | 57.4 |
| 6 (CH) | 69.4 |
| 7 (CH2) | 47.7 |
| 8 (C) | 144.2 |
| 9 (CH) | 57.7 |
| 10 (C) | 40.9 |
| 11 (CH2) | 21 |
| 12 (CH2) | 35.5 |
| 13 (CH) | 30.8 |
| 14 (CH2) | 41.2 |
| 15 (C) | 178.8 |
| 16 (CH3) | 19.9 |
| 17 (CH2) | 110.3 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 33.6 |
| 20 (CH3) | 17.1 |
