Spektraris NMR
7,11-Dioxo-3 -hydroxy-8,24Z-tirucalladien-26-oic acid
Common Name: 7,11-Dioxo-3 -hydroxy-8,24Z-tirucalladien-26-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,22-23,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10-/t17-,19-,22-,23+,28-,29+,30-/m0/s1
InChIKey: InChIKey=JLJNFBZVVNRVDF-QGWXFPHVSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Makino, M., Motegi, T., Fujimoto, Y Phytochemistry (2004) 65, 891-6
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) | 28.4 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 74.9 |
| 4 (C) | 37.5 |
| 5 (CH) | 42.4 |
| 6 (CH2) | 36 |
| 7 (C) | 200.5 |
| 8 (C) | 149.9 |
| 9 (C) | 155.7 |
| 10 (C) | 38.3 |
| 11 (C) | 202.4 |
| 12 (CH2) | 51.7 |
| 13 (C) | 45.5 |
| 14 (C) | 48 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 49.5 |
| 18 (CH3) | 18.7 |
| 19 (CH3) | 17.9 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 35.7 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 146.7 |
| 25 (C) | 126.4 |
| 26 (CH3) | 20.9 |
| 27 (C) | 172.9 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 24.2 |
