Spektraris NMR
3,23-dioxotirucalla-7,24-dien-21-al
Common Name: 3,23-dioxotirucalla-7,24-dien-21-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-19(2)16-21(32)17-20(18-31)22-10-14-30(7)24-8-9-25-27(3,4)26(33)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,18,20,22-23,25H,9-15,17H2,1-7H3/t20-,22+,23+,25+,28-,29+,30-/m1/s1
InChIKey: InChIKey=UOWCRZCTJKGGKK-CGCXKXEYSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Orisadipe, A.T., Adesomoju, A.A., D'Ambrosio, M., Guerriero, A., Okogun, J.I. Phytochemistry (2005) 66, 2324-8
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) | 38.4 |
| 2 (CH2) | 35 |
| 3 (C) | 216.1 |
| 4 (C) | 47.8 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 118.4 |
| 8 (C) | 145.1 |
| 9 (CH) | 48.2 |
| 10 (C) | 34.8 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 32.7 |
| 13 (C) | 43.5 |
| 14 (C) | 50.7 |
| 15 (CH2) | 33.8 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 49 |
| 18 (CH3) | 23.8 |
| 19 (CH3) | 12.7 |
| 20 (CH) | 49.2 |
| 21 (CH) | 204.7 |
| 22 (CH2) | 45.7 |
| 23 (C) | 198.5 |
| 24 (CH) | 122.9 |
| 25 (C) | 156.5 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 20.8 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.5 |
