Spektraris NMR
Amotsangins B
Common Name: Amotsangins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O10/c1-17(2)29(37)41-28-27(40-19(4)34)26(31(7)12-10-24(35)43-30(5,6)22(31)15-25(36)38-9)18(3)33-23(42-33)14-21(32(28,33)8)20-11-13-39-16-20/h10-13,16-17,21-23,26-28H,3,14-15H2,1-2,4-9H3/t21-,22-,23+,26+,27+,28-,31-,32+,33+/m0/s1
InChIKey: InChIKey=IGDXTIYJGIXWPU-BCQXRMRSSA-N
Formula: C33H42O10
Molecular Weight: 598.681846
Exact Mass: 598.277798
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 |
| 3 (C) | 166.5 |
| 4 (C) | 83.5 |
| 5 (CH) | 50 |
| 6 (CH2) | 34.9 |
| 7 (C) | 173.5 |
| 8 (C) | 136.7 |
| 9 (CH) | 53.2 |
| 10 (C) | 46.2 |
| 11 (CH) | 71 |
| 12 (CH) | 73.7 |
| 13 (C) | 45.4 |
| 14 (C) | 71 |
| 15 (CH) | 59.4 |
| 16 (CH2) | 33.8 |
| 17 (CH) | 37.6 |
| 18 (CH3) | 13.6 |
| 19 (CH3) | 22.6 |
| 20 (C) | 122.1 |
| 21 (CH) | 140.4 |
| 22 (CH) | 111.2 |
| 23 (CH) | 142.4 |
| 28 (CH3) | 30.2 |
| 29 (CH3) | 22.4 |
| 30 (CH2) | 120.9 |
| 7a (CH3) | 52.3 |
| 11a (C) | 170.3 |
| 11b (CH3) | 20.5 |
| 12a (C) | 175.3 |
| 12b (CH) | 33.9 |
| 12c (CH3) | 18.2 |
| 12ba (CH3) | 18.4 |
