Spektraris NMR
7a-hydroxytrachyloban-19b-oic acid
Common Name: 7a-hydroxytrachyloban-19b-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-17-5-4-6-18(2,16(22)23)13(17)8-15(21)20-9-12-11(7-14(17)20)19(12,3)10-20/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12-,13+,14+,15+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=REFPIPGRFRVTDA-FDYXYPMMSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngouela, S., Nyasse, B., Tsamo, E., Brochier, M.C., Morin, C. J Nat Prod (1998) 61, 264-6
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) | 40.1 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 39 |
| 4 (C) | 43.7 |
| 5 (CH) | 48 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 75.3 |
| 8 (C) | 46.1 |
| 9 (CH) | 47.1 |
| 10 (C) | 39.4 |
| 11 (CH2) | 19.6 |
| 12 (CH) | 21.2 |
| 13 (CH) | 24.7 |
| 14 (CH2) | 33.1 |
| 15 (CH2) | 46.6 |
| 16 (C) | 23.3 |
| 17 (CH3) | 21 |
| 18 (CH3) | 29.3 |
| 19 (C) | 180.6 |
| 20 (CH3) | 13 |
