Spektraris NMR
Dymalol
Common Name: Dymalol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H54O5/c1-26(2,33)22-13-18-30(7)23(28(22,5)16-15-25(32)35-9)11-10-20-21(12-17-29(20,30)6)31(8)19-14-24(36-31)27(3,4)34/h20-24,33-34H,10-19H2,1-9H3/t20?,21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
InChIKey: InChIKey=KMTSRTXGLOZVER-GOHKCCGMSA-N
Formula: C31H54O5
Molecular Weight: 506.758638
Exact Mass: 506.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roux, D., Martin, M.T., Adeline, M.T., Sevenet, T., Hadi, A.H.A., Pais, M. Phytochemistry (1998) 49, 1745-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 34.8 |
| 2 (CH2) | 29.9 |
| 3 (C) | 175.8 |
| 4 (C) | 76 |
| 5 (CH) | 52.1 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 34.9 |
| 8 (C) | 40.2 |
| 9 (CH) | 42.6 |
| 10 (C) | 41.4 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 43.2 |
| 14 (C) | 50.5 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 26 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 20.7 |
| 20 (C) | 86.6 |
| 21 (CH3) | 27.2 |
| 22 (CH2) | 35.1 |
| 23 (CH2) | 26.5 |
| 24 (CH) | 86.5 |
| 25 (C) | 70.4 |
| 26 (CH3) | 28 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 34.5 |
| 29 (CH3) | 27.6 |
| 30 (CH3) | 15.5 |
| 3a (CH3) | 51.8 |
