Spektraris NMR
azadirachtin Q
Common Name: azadirachtin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O15/c1-13(33)44-16-10-17(45-14(2)34)30(25(37)40-6)12-42-19-22(30)29(16)11-43-20(24(36)39-5)21(29)27(3,23(19)35)32-18-9-15(28(32,4)47-32)31(38)7-8-41-26(31)46-18/h7-8,15-23,26,35,38H,9-12H2,1-6H3/t15-,16+,17-,18+,19-,20+,21+,22-,23-,26+,27+,28+,29-,30+,31+,32+/m1/s1
InChIKey: InChIKey=WCKRCDIVSWWTJC-NRRASYIRSA-N
Formula: C32H40O15
Molecular Weight: 664.652253
Exact Mass: 664.236721
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Prajuabsuk, T., Panichajakul, S., Panyamee, P., Prabpai, S., Kongsaeree, P. J Nat Prod (2005) 68, 1047-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 70.7 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 67 |
| 4 (C) | 52.4 |
| 5 (CH) | 36.7 |
| 6 (CH) | 73.8 |
| 7 (CH) | 73.2 |
| 8 (C) | 44.4 |
| 9 (CH) | 44 |
| 10 (C) | 49 |
| 11 (CH) | 79.4 |
| 12 (C) | 172.4 |
| 13 (C) | 66.4 |
| 14 (C) | 69.2 |
| 15 (CH) | 76 |
| 16 (CH2) | 25.2 |
| 17 (CH) | 48.5 |
| 18 (CH3) | 18 |
| 19 (CH2) | 70 |
| 20 (C) | 83.7 |
| 21 (CH) | 108.8 |
| 22 (CH) | 107.5 |
| 23 (CH) | 147 |
| 28 (CH2) | 73.1 |
| 29 (C) | 173.2 |
| 30 (CH3) | 21.2 |
| 1a (C) | 169.8 |
| 1b (CH3) | 21 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21.1 |
| 12a (CH3) | 52.8 |
| 29a (CH3) | 52.8 |
