Spektraris NMR
Amotsangins E
Common Name: Amotsangins E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O10/c1-20-29(34(5)15-13-27(38)46-33(3,4)25(34)18-28(39)41-7)30(43-21(2)37)31(44-32(40)22-11-9-8-10-12-22)35(6)24(23-14-16-42-19-23)17-26-36(20,35)45-26/h8-16,19,24-26,29-31H,1,17-18H2,2-7H3/t24-,25-,26+,29+,30+,31-,34-,35+,36+/m0/s1
InChIKey: InChIKey=NUUVSGHNZUYEEL-WVRSFDRASA-N
Formula: C36H40O10
Molecular Weight: 632.698172
Exact Mass: 632.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, H.D., Yang, S.P., Liao, S.G., Zhang, B., Wu, Y., Yue, J.M. J Nat Prod (2008) 71, 93-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 148.5 |
| 2 (CH) | 122.1 |
| 3 (C) | 166.5 |
| 4 (C) | 83.5 |
| 5 (CH) | 50 |
| 6 (CH2) | 35 |
| 7 (C) | 173.4 |
| 8 (C) | 136.8 |
| 9 (CH) | 53.3 |
| 10 (C) | 46.3 |
| 11 (CH) | 71.1 |
| 12 (CH) | 75.1 |
| 13 (C) | 45.4 |
| 14 (C) | 71.2 |
| 15 (CH) | 59.7 |
| 16 (CH2) | 33.3 |
| 17 (CH) | 38 |
| 18 (CH3) | 13.6 |
| 19 (CH3) | 22.4 |
| 20 (C) | 122.1 |
| 21 (CH) | 140.3 |
| 22 (CH) | 111 |
| 23 (CH) | 142.3 |
| 28 (CH3) | 30.2 |
| 29 (CH3) | 22.7 |
| 30 (CH2) | 121 |
| 7a (CH3) | 52.3 |
| 11a (C) | 170.4 |
| 11b (CH3) | 20.2 |
| 12a (C) | 165.6 |
| 12b (C) | 129.7 |
| 12c (CH) | 129.5 |
| 12d (CH) | 128.2 |
| 12e (CH) | 132.8 |
| 12f (CH) | 128.2 |
| 12g (CH) | 129.5 |
