Spektraris NMR
Amotsangins C
Common Name: Amotsangins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O11/c1-10-18(2)28(39)31(40)44-30-29(43-20(4)36)27(33(7)13-11-25(37)46-32(5,6)23(33)16-26(38)41-9)19(3)35-24(45-35)15-22(34(30,35)8)21-12-14-42-17-21/h11-14,17-18,22-24,27-30,39H,3,10,15-16H2,1-2,4-9H3/t18?,22-,23-,24+,27+,28?,29+,30-,33-,34+,35+/m0/s1
InChIKey: InChIKey=LJHQUAFDGSPXHQ-UCUXBFKPSA-N
Formula: C35H46O11
Molecular Weight: 642.734485
Exact Mass: 642.304012
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) | 148.4 |
| 2 (CH) | 122.2 |
| 3 (C) | 166.5 |
| 4 (C) | 83.7 |
| 5 (CH) | 50 |
| 6 (CH2) | 34.9 |
| 7 (C) | 173.4 |
| 8 (C) | 136.5 |
| 9 (CH) | 53.5 |
| 10 (C) | 46.3 |
| 11 (CH) | 70.4 |
| 12 (CH) | 72.9 |
| 13 (C) | 45.6 |
| 14 (C) | 71 |
| 15 (CH) | 59.5 |
| 16 (CH2) | 34 |
| 17 (CH) | 37.7 |
| 18 (CH3) | 13.6 |
| 19 (CH3) | 22.8 |
| 20 (C) | 121.9 |
| 21 (CH) | 140.5 |
| 22 (CH) | 111 |
| 23 (CH) | 142.7 |
| 28 (CH3) | 30.2 |
| 29 (CH3) | 22.3 |
| 30 (CH2) | 121.1 |
| 7a (CH3) | 52.3 |
| 11a (C) | 170.3 |
| 11b (CH3) | 20.8 |
| 12a (C) | 175 |
| 12b (CH) | 75.3 |
| 12c (CH) | 37.8 |
| 12d (CH2) | 26.2 |
| 12e (CH3) | 11.6 |
| 12ca (CH3) | 13 |
