Spektraris NMR
ent-I lct,16fl,19-trihydroxykauran
Common Name: ent-I lct,16fl,19-trihydroxykauran
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(12-21)6-4-7-18(2)15(17)5-8-20-10-13(19(3,23)11-20)9-14(22)16(18)20/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,17+,18-,19-,20+/m1/s1
InChIKey: InChIKey=WSMSGKQUFSNGIS-PVVXXXPESA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hanson, J.R., Hitchcock, P.B., Takahashi, J.A. Phytochemistry (1995) 40, 797-800
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 36.2 |
| 4 (C) | 38.6 |
| 5 (CH) | 57 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 43.4 |
| 8 (C) | 44.3 |
| 9 (CH) | 65.1 |
| 10 (C) | 39.4 |
| 11 (CH) | 65.1 |
| 12 (CH2) | 37.7 |
| 13 (CH) | 49.6 |
| 14 (CH2) | 37.2 |
| 15 (CH2) | 56.4 |
| 16 (C) | 78.8 |
| 17 (CH3) | 26.2 |
| 18 (CH3) | 28 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 18.5 |
