Spektraris NMR
1-Oxo-3α,18-dihydroxymanoyl oxide
Common Name: 1-Oxo-3α,18-dihydroxymanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-6-17(2)9-7-14-19(4,24-17)10-8-13-18(3,12-21)15(22)11-16(23)20(13,14)5/h6,13-15,21-22H,1,7-12H2,2-5H3/t13-,14-,15+,17-,18-,19+,20-/m0/s1
InChIKey: InChIKey=MRMMICUGAWQIKX-IGWQOOCHSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Gonzalez, P., Guillermo, R., Hernandez, M.G. J Nat Prod (1998) 61, 1237-41
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 (C) | 211 |
| 2 (CH2) | 43.5 |
| 3 (CH) | 75.9 |
| 4 (C) | 42.5 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 41.7 |
| 8 (C) | 74.5 |
| 9 (CH) | 49 |
| 10 (C) | 52.1 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 36.3 |
| 13 (C) | 73.8 |
| 14 (CH) | 147.7 |
| 15 (CH2) | 110.4 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 25.2 |
| 18 (CH2) | 70.6 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 11.8 |
