Spektraris NMR
Amotsangins G
Common Name: Amotsangins G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O11/c1-10-17(2)30(40)44-29-27(43-19(4)37)28-32(7)22(31(5,6)46-26(39)15-24(32)42-18(3)36)14-23(38)34(28,9)35-25(45-35)13-21(33(29,35)8)20-11-12-41-16-20/h11-12,16-17,21-22,24-25,27-29H,10,13-15H2,1-9H3/t17?,21-,22-,24-,25+,27-,28+,29-,32+,33+,34+,35+/m0/s1
InChIKey: InChIKey=ZZKHLLRHIFTRHS-JHBHLRBBSA-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) | 70.9 |
| 2 (CH2) | 34.8 |
| 3 (C) | 169.3 |
| 4 (C) | 84.2 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 38.6 |
| 7 (C) | 207.1 |
| 8 (C) | 45.1 |
| 9 (CH) | 44 |
| 10 (C) | 44.4 |
| 11 (CH) | 75.5 |
| 12 (CH) | 80.6 |
| 13 (C) | 45.1 |
| 14 (C) | 67.8 |
| 15 (CH) | 56.2 |
| 16 (CH2) | 33.5 |
| 17 (CH) | 41.5 |
| 18 (CH3) | 14.8 |
| 19 (CH3) | 17 |
| 20 (C) | 121.9 |
| 21 (CH) | 141.1 |
| 22 (CH) | 111.7 |
| 23 (CH) | 142.3 |
| 28 (CH3) | 23.2 |
| 29 (CH3) | 33.8 |
| 30 (CH3) | 21.2 |
| 1a (C) | 168.5 |
| 1b (CH3) | 20.9 |
| 11a (C) | 169.1 |
| 11b (CH3) | 21.2 |
| 12a (C) | 174.9 |
| 12b (CH) | 40.8 |
| 12c (CH2) | 26.1 |
| 12d (CH3) | 11.4 |
| 12ba (CH3) | 15.5 |
