Spektraris NMR
(13R)-8,13-Epoxylabda-14-ene-2alpha,6beta,18-triol
Common Name: (13R)-8,13-Epoxylabda-14-ene-2alpha,6beta,18-triol
Synonyms: (13R)-8,13-Epoxylabda-14-ene-2alpha,6beta,18-triol
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-6-18(3)8-7-15-19(4)10-13(22)9-17(2,12-21)16(19)14(23)11-20(15,5)24-18/h6,13-16,21-23H,1,7-12H2,2-5H3/t13-,14+,15+,16-,17-,18-,19+,20+/m0/s1
InChIKey: InChIKey=AUWUKQVPKFPFAU-ZEIPOVTJSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Gonzalez, P., Guillermo, R., Hernandez, M.G. J Nat Prod (1998) 61, 1237-41
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) | 49.7 |
| 2 (CH) | 65.1 |
| 3 (CH2) | 46.6 |
| 4 (C) | 38.4 |
| 5 (CH) | 51 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 50.3 |
| 8 (C) | 74.5 |
| 9 (CH) | 56.3 |
| 10 (C) | 39.7 |
| 11 (CH2) | 15.4 |
| 12 (CH2) | 35.8 |
| 13 (C) | 73.4 |
| 14 (CH) | 147.8 |
| 15 (CH2) | 110.4 |
| 16 (CH3) | 28.3 |
| 17 (CH3) | 26.5 |
| 18 (CH2) | 71.5 |
| 19 (CH3) | 20.4 |
| 20 (CH3) | 18.3 |
