Spektraris NMR
Dymacrin D
Common Name: Dymacrin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-19(2)17-21(31)18-20(3)22-11-15-30(8)24-9-10-25-27(4,5)26(32)13-14-28(25,6)23(24)12-16-29(22,30)7/h9,17,20,22-23,25H,10-16,18H2,1-8H3/t20-,22-,23-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=UIUBIKFYFKOTAH-HPZVLDIXSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
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) | 38.6 |
| 2 (CH2) | 35 |
| 3 (C) | 216.1 |
| 4 (C) | 48 |
| 5 (CH) | 53.3 |
| 6 (CH2) | 24.7 |
| 7 (CH) | 118 |
| 8 (C) | 145.9 |
| 9 (CH) | 48.5 |
| 10 (C) | 35.1 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.6 |
| 13 (C) | 43.7 |
| 14 (C) | 51.4 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 12.9 |
| 20 (CH) | 33.6 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 51.6 |
| 23 (C) | 201.5 |
| 24 (CH) | 124.4 |
| 25 (C) | 154.8 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 20.8 |
| 28 (CH3) | 24.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 27.5 |
