Spektraris NMR
15-b-Hydroxy-(-)-trachyloban-19-oic acid
Common Name: 15-b-Hydroxy-(-)-trachyloban-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-12-11(9-14(17)20)19(12,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12-,13+,14+,15-,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=MHVNHDYWKUKRRJ-MIMJPSHSSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harrigan, G.G., Bolzani, V.D., Gunatilaka, A.A.L., Kingston, D.G.I. Phytochemistry (1994) 36, 109-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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) | 39.1 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 38.4 |
| 4 (C) | 43.5 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 36.1 |
| 8 (C) | 46 |
| 9 (CH) | 42.36 |
| 10 (C) | 41.2 |
| 11 (CH2) | 22 |
| 12 (CH) | 20 |
| 13 (CH) | 20.9 |
| 14 (CH2) | 30.8 |
| 15 (CH) | 82.7 |
| 16 (C) | 25.3 |
| 17 (CH3) | 18.5 |
| 18 (CH3) | 28.9 |
| 19 (C) | 179.8 |
| 20 (CH3) | 13 |
