Spektraris NMR
3a,19-Dihydroxytrachylobane
Common Name: 3a,19-Dihydroxytrachylobane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-17-6-5-16(22)19(3,11-21)14(17)4-7-20-9-13-12(8-15(17)20)18(13,2)10-20/h12-16,21-22H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18+,19+,20+/m1/s1
InChIKey: InChIKey=PIRXBCDSMORUTK-HBSNBNFSSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kapingu, M.C., Guillaume, D., Mbwambo, Z.H., Moshi, M.J., Uliso, F.C., Mahunnah, R.L. Phytochemistry (2000) 54, 767-70
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) | 36.9 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 80.1 |
| 4 (C) | 40.2 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 38.8 |
| 8 (C) | 41.8 |
| 9 (CH) | 52.8 |
| 10 (C) | 37.4 |
| 11 (CH2) | 19.7 |
| 12 (CH) | 20.2 |
| 13 (CH) | 23.8 |
| 14 (CH2) | 33 |
| 15 (CH2) | 49.9 |
| 16 (C) | 23.8 |
| 17 (CH3) | 20.2 |
| 18 (CH3) | 22.1 |
| 19 (CH2) | 64.1 |
| 20 (CH3) | 14.9 |
