Spektraris NMR
6a,l6,18-Trihydroxymanoyl oxide
Common Name: 6a,l6,18-Trihydroxymanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-5-20(13-22)10-7-15-18(3)9-6-8-17(2,12-21)16(18)14(23)11-19(15,4)24-20/h5,14-16,21-23H,1,6-13H2,2-4H3/t14-,15+,16-,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=PBTFJUXOLJJSAW-MXURRZRCSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Martinez, A., Onorato, M.E., Parra, A., Recondo, M.B., Rivas, F., Arrebola, M.L., Socorro, O. Phytochemistry (1994) 35, 645-50
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) | 38.6 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 38.3 |
| 4 (C) | 38.2 |
| 5 (CH) | 51.2 |
| 6 (CH) | 67.8 |
| 7 (CH2) | 53.8 |
| 8 (C) | 74.6 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.9 |
| 11 (CH2) | 14.8 |
| 12 (CH2) | 26.4 |
| 13 (C) | 74.6 |
| 14 (CH) | 143.5 |
| 15 (CH2) | 114.6 |
| 16 (CH2) | 68.9 |
| 17 (CH3) | 27.3 |
| 18 (CH2) | 74.9 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 16.5 |
