Spektraris NMR
Chuktabularin D
Common Name: Chuktabularin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O17/c1-9-33-13-24-32(8,26(49-17(2)39)22-10-11-47-14-22)27(50-18(3)40)28(51-19(4)41)38(46)34-16-48-25(44)12-23(34)31(7)15-35(34,45)37(53-21(6)43,29(31)52-20(5)42)30(54-33)36(24,38)55-33/h10-11,14,23-24,26-30,45-46H,9,12-13,15-16H2,1-8H3/t23-,24+,26+,27-,28+,29-,30-,31-,32+,33?,34+,35+,36+,37-,38-/m0/s1
InChIKey: InChIKey=RUAUWMMEBLEADK-PQUMXQKUSA-N
Formula: C38H46O17
Molecular Weight: 774.763123
Exact Mass: 774.2735
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) | 85.6 |
| 2 (C) | 81.3 |
| 3 (CH) | 83 |
| 4 (C) | 45.6 |
| 5 (CH) | 40.5 |
| 6 (CH2) | 31.3 |
| 7 (C) | 172.6 |
| 8 (C) | 89.6 |
| 9 (C) | 75.3 |
| 10 (C) | 52.4 |
| 11 (CH) | 71.4 |
| 12 (CH) | 72.2 |
| 13 (C) | 41.5 |
| 14 (CH) | 43.9 |
| 15 (CH2) | 33.9 |
| 17 (CH) | 71.3 |
| 18 (CH3) | 19.1 |
| 19 (CH2) | 69.4 |
| 20 (C) | 122.4 |
| 21 (CH) | 140.2 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 15 |
| 29 (CH2) | 38.8 |
| 30 (CH) | 70.8 |
| 2a (C) | 169.4 |
| 2b (CH3) | 20.7 |
| 3a (C) | 169.1 |
| 3b (CH3) | 20.9 |
| 11a (C) | 170.9 |
| 11b (CH3) | 20.8 |
| 15a (C) | 113.3 |
| 15b (CH2) | 25.9 |
| 15c (CH3) | 7.8 |
| 17a (C) | 169.9 |
| 17b (CH3) | 20.5 |
| 21a (C) | 168.7 |
| 21b (CH3) | 20.4 |
