Spektraris NMR
Ent-dihydrotucumanoic acid
Common Name: Ent-dihydrotucumanoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O5/c1-12(10-16(22)23)6-8-18(3)13(2)7-9-19(4)15(18)11-14(21)17(24)20(19,5)25/h12-15,17,21,24-25H,6-11H2,1-5H3,(H,22,23)/t12-,13-,14-,15-,17-,18+,19-,20+/m0/s1
InChIKey: InChIKey=VRPNZVDXTVMWKI-XYHMMXIESA-N
Formula: C20H36O5
Molecular Weight: 356.49761
Exact Mass: 356.256274
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Martinez, R., Calderon, J.S., Toscano, R.A., Valle-Aguilera, L., Mendoza-Candelaria, H.M. Phytochemistry (1994) 35, 1505-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 25.9 |
| 2 (CH) | 68.1 |
| 3 (CH) | 77.4 |
| 4 (C) | 75.8 |
| 5 (C) | 39.8 |
| 6 (CH2) | 28.6 |
| 7 (CH2) | 24.9 |
| 8 (CH) | 35.2 |
| 9 (C) | 37.5 |
| 10 (CH) | 37.6 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 31.3 |
| 13 (CH) | 30.1 |
| 14 (CH2) | 41 |
| 15 (C) | 174.4 |
| 16 (CH3) | 17.8 |
| 17 (CH3) | 15.2 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 19.3 |
| 20 (CH3) | 16.4 |
