Spektraris NMR
Dymacrin H
Common Name: Dymacrin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(14-21(32)25-26(2,3)35-25)18-10-12-29(6)19-8-9-22-27(4,16-31)23(33)15-24(34)30(22,7)20(19)11-13-28(18,29)5/h8,17-18,20,22,24-25,31,34H,9-16H2,1-7H3/t17-,18-,20-,22-,24+,25-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=BSHJLQQNFATZFT-UHUHJXBZSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
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 (CH) | 76.2 |
| 2 (CH2) | 45.8 |
| 3 (C) | 216.6 |
| 4 (C) | 53.5 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 118.4 |
| 8 (C) | 146.5 |
| 9 (CH) | 48.8 |
| 10 (C) | 41 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 33.9 |
| 13 (C) | 43.2 |
| 14 (C) | 51.4 |
| 15 (CH2) | 34.4 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 53 |
| 18 (CH3) | 22.2 |
| 19 (CH3) | 8.7 |
| 20 (CH) | 32.6 |
| 21 (CH3) | 19.6 |
| 22 (CH2) | 48.1 |
| 23 (C) | 207.1 |
| 24 (CH) | 65.7 |
| 25 (C) | 61.2 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 24.8 |
| 28 (CH3) | 20.1 |
| 29 (CH2) | 65.3 |
| 30 (CH3) | 27.7 |
