Spektraris NMR
Dymacrin B
Common Name: Dymacrin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(2)15-20(31)16-19(3)21-9-13-30(8)23-17-24(32)26-27(4,5)25(33)11-12-28(26,6)22(23)10-14-29(21,30)7/h15,17,19,21-22,24,26,32H,9-14,16H2,1-8H3/t19-,21-,22-,24+,26-,28+,29-,30+/m0/s1
InChIKey: InChIKey=SOPYRROTFCOAOM-YMQLMADLSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamad, K., Martin, M.T., Litaudon, M., Gaspard, C., Sevenet, T., Pais, M. Phytochemistry (1999) 52, 1461-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 39.8 |
| 2 (CH2) | 34.6 |
| 3 (C) | 217 |
| 4 (C) | 48.8 |
| 5 (CH) | 56 |
| 6 (CH) | 67.1 |
| 7 (CH) | 121.5 |
| 8 (C) | 146.1 |
| 9 (CH) | 49 |
| 10 (C) | 34.8 |
| 11 (CH2) | 18 |
| 12 (CH2) | 33.1 |
| 13 (C) | 43.2 |
| 14 (C) | 51.2 |
| 15 (CH2) | 33.7 |
| 16 (CH2) | 28 |
| 17 (CH) | 52.8 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 15.6 |
| 20 (CH) | 33.2 |
| 21 (CH3) | 19.3 |
| 22 (CH2) | 51.3 |
| 23 (C) | 201.2 |
| 24 (CH) | 124.1 |
| 25 (C) | 155 |
| 26 (CH3) | 27.5 |
| 27 (CH3) | 20.7 |
| 28 (CH3) | 23.8 |
| 29 (CH3) | 24.6 |
| 30 (CH3) | 26.4 |
