Spektraris NMR
Chuktabularin A
Common Name: Chuktabularin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H48O17/c1-17(39)49-26(22-11-12-48-15-22)33(8)24-14-32(7)54-30-36(24,55-32)38(46,28(51-19(3)41)27(33)50-18(2)40)34(9)23(13-25(44)47-10)31(6)16-35(34,45)37(30,53-21(5)43)29(31)52-20(4)42/h11-12,15,23-24,26-30,45-46H,13-14,16H2,1-10H3/t23-,24+,26+,27-,28+,29-,30-,31-,32?,33+,34+,35+,36+,37-,38-/m0/s1
InChIKey: InChIKey=JCMUTCOGZUCPLH-LMSQEDBESA-N
Formula: C38H48O17
Molecular Weight: 776.779004
Exact Mass: 776.28915
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, C.R., Yang, S.P., Liao, S.G., Fan, C.Q., Wu, Y., Yue, J.M. Org Lett (2007) 9, 3383-6
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) | 84.4 |
| 2 (C) | 82.1 |
| 3 (CH) | 83.4 |
| 4 (C) | 45.4 |
| 5 (CH) | 41.1 |
| 6 (CH2) | 34.1 |
| 7 (C) | 173.1 |
| 8 (C) | 90.1 |
| 9 (C) | 76.1 |
| 10 (C) | 52.5 |
| 11 (CH) | 72.4 |
| 12 (CH) | 73.2 |
| 13 (C) | 41.6 |
| 14 (CH) | 44.8 |
| 15 (CH2) | 34.1 |
| 17 (CH) | 71.2 |
| 18 (CH3) | 19 |
| 19 (CH3) | 17.6 |
| 20 (C) | 122.3 |
| 21 (CH) | 140.5 |
| 22 (CH) | 109.6 |
| 23 (CH) | 143 |
| 28 (CH3) | 16 |
| 29 (CH2) | 40 |
| 30 (CH) | 71 |
| 2a (C) | 169.6 |
| 2b (CH3) | 20.9 |
| 3a (C) | 169.5 |
| 3b (CH3) | 21 |
| 7a (CH3) | 51.6 |
| 11a (C) | 169.5 |
| 11b (CH3) | 20.9 |
| 15a (C) | 110.2 |
| 15b (CH3) | 18.7 |
| 17a (C) | 169.2 |
| 17b (CH3) | 20.5 |
| 21a (C) | 168.7 |
| 21b (CH3) | 20.4 |
