Spektraris NMR
Dymacrin E
Common Name: Dymacrin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-19(2)16-21(32)17-20(3)22-10-14-30(7)24-8-9-25-27(4,23(24)11-15-29(22,30)6)13-12-26(33)28(25,5)18-31/h8,16,18,20,22-23,25-26,33H,9-15,17H2,1-7H3/t20-,22-,23-,25+,26+,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=QOQBENNJNCTRTF-WQAYVDISSA-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) | 37.3 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 77.7 |
| 4 (C) | 52.6 |
| 5 (CH) | 53.2 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 117 |
| 8 (C) | 146.1 |
| 9 (CH) | 47.6 |
| 10 (C) | 35.1 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 33.7 |
| 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) | 13.2 |
| 20 (CH) | 33.6 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 51.6 |
| 23 (C) | 201.6 |
| 24 (CH) | 124.5 |
| 25 (C) | 154.8 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 20.8 |
| 28 (CH3) | 19.6 |
| 29 (CH) | 208.3 |
| 30 (CH3) | 27.4 |
