Spektraris NMR
Azadirachtin O
Common Name: Azadirachtin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O15/c1-15(2)10-21(37)48-18-12-19(47-16(3)36)33(28(40)43-7)14-45-22-25(33)32(18)13-46-23(27(39)42-6)24(32)30(4,26(22)38)35-20-11-17(31(35,5)50-35)34(41)8-9-44-29(34)49-20/h8-9,15,17-20,22-26,29,38,41H,10-14H2,1-7H3/t17-,18+,19-,20+,22-,23+,24+,25-,26-,29+,30+,31+,32-,33+,34+,35+/m1/s1
InChIKey: InChIKey=FZGPSVKDAHZKDU-PZXZPNTDSA-N
Formula: C35H46O15
Molecular Weight: 706.732105
Exact Mass: 706.283671
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) | 70.3 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 67 |
| 4 (C) | 52.4 |
| 5 (CH) | 37 |
| 6 (CH) | 73.7 |
| 7 (CH) | 73.2 |
| 8 (C) | 44 |
| 9 (CH) | 44.6 |
| 10 (C) | 48.9 |
| 11 (CH) | 79.4 |
| 12 (C) | 172.4 |
| 13 (C) | 66.5 |
| 14 (C) | 69.3 |
| 15 (CH) | 76 |
| 16 (CH2) | 25.2 |
| 17 (CH) | 48.5 |
| 18 (CH3) | 18.2 |
| 19 (CH2) | 70 |
| 20 (C) | 83.7 |
| 21 (CH) | 108.8 |
| 22 (CH) | 107.5 |
| 23 (CH) | 147 |
| 28 (CH2) | 73.2 |
| 29 (C) | 173.2 |
| 30 (CH3) | 21.1 |
| 1a (C) | 171.9 |
| 1b (CH2) | 43.3 |
| 1c (CH) | 24.9 |
| 1d (CH3) | 22.6 |
| 1ca (CH3) | 22.5 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21.1 |
| 12a (CH3) | 52.8 |
| 29a (CH3) | 52.8 |
