Spektraris NMR
azadirachtin P
Common Name: azadirachtin P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O14/c1-14(2)9-20(35)45-17-11-18(44-15(3)34)31(26(38)40-6)13-42-21-22(31)30(17)12-43-25(37)23(30)28(4,24(21)36)33-19-10-16(29(33,5)47-33)32(39)7-8-41-27(32)46-19/h7-8,14,16-19,21-25,27,36-37,39H,9-13H2,1-6H3/t16-,17+,18-,19+,21-,22-,23+,24-,25+,27+,28+,29+,30+,31+,32+,33+/m1/s1
InChIKey: InChIKey=OLVMXZKTRMVIJY-HSBJIDIBSA-N
Formula: C33H44O14
Molecular Weight: 664.695347
Exact Mass: 664.273106
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) | 73.1 |
| 2 (CH2) | 30.6 |
| 3 (CH) | 67.2 |
| 4 (C) | 52.3 |
| 5 (CH) | 36.9 |
| 6 (CH) | 74.1 |
| 7 (CH) | 72.4 |
| 8 (C) | 42.9 |
| 9 (CH) | 48.4 |
| 10 (C) | 47.4 |
| 11 (CH) | 101 |
| 13 (C) | 66.6 |
| 14 (C) | 69.8 |
| 15 (CH) | 76.1 |
| 16 (CH2) | 25.4 |
| 17 (CH) | 48.5 |
| 18 (CH3) | 18.9 |
| 19 (CH2) | 70.4 |
| 20 (C) | 83.5 |
| 21 (CH) | 108.7 |
| 22 (CH) | 107.5 |
| 23 (CH) | 147.1 |
| 28 (CH2) | 73.1 |
| 29 (C) | 173.4 |
| 30 (CH3) | 21.1 |
| 1a (C) | 172 |
| 1b (CH2) | 43.5 |
| 1c (CH) | 24.8 |
| 1d (CH3) | 22.5 |
| 1ca (CH3) | 22.4 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21.1 |
| 29a (CH3) | 52.7 |
