Spektraris NMR
Chuktabrin A
Common Name: Chuktabrin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H44O16/c1-9-20-12-22-31(6,24(47-16(2)37)19-10-11-46-14-19)25(48-17(3)38)26(49-18(4)39)36-32(7)21(13-23(40)45-8)30(5)15-33(32,43)34(44,27(30)41)28(50-20)35(22,36)51-29(42)52-36/h10-12,14,21-22,24-28,41,43-44H,9,13,15H2,1-8H3/t21-,22?,24+,25-,26+,27-,28+,30-,31+,32+,33+,34-,35+,36-/m0/s1
InChIKey: InChIKey=UMFZGUOEIFNPAT-GYRZQVTISA-N
Formula: C36H44O16
Molecular Weight: 732.726364
Exact Mass: 732.262935
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, C.R., Fan, C.Q., Zhang, L., Yang, S.P., Wu, Y., Lu, Y., Yue, J.M. Org Lett (2008) 10, 3183-6
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 (C) | 81.4 |
| 2 (C) | 73.8 |
| 3 (CH) | 87.4 |
| 4 (C) | 43.4 |
| 5 (CH) | 37.9 |
| 6 (CH2) | 32.4 |
| 7 (C) | 173 |
| 8 (C) | 82.3 |
| 9 (C) | 85 |
| 10 (C) | 49.5 |
| 11 (CH) | 68.9 |
| 12 (CH) | 71.4 |
| 13 (C) | 43.6 |
| 14 (CH) | 44.3 |
| 15 (CH) | 92.3 |
| 17 (CH) | 66.9 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 13.8 |
| 20 (C) | 118.9 |
| 21 (CH) | 144.2 |
| 22 (CH) | 109 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 14.6 |
| 29 (CH2) | 43 |
| 30 (CH) | 65.5 |
| 7a (CH3) | 52.4 |
| 11a (C) | 169.1 |
| 11b (CH3) | 21.1 |
| 12a (C) | 170.2 |
| 12b (CH3) | 20.6 |
| 14a (C) | 152.4 |
| 15a (C) | 152.4 |
| 15b (CH2) | 26.3 |
| 15c (CH3) | 10.8 |
| 17a (C) | 169.1 |
| 17b (CH3) | 20.8 |
