Spektraris NMR
Chuktabularin B
Common Name: Chuktabularin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O17/c1-16(38)48-25(21-9-10-46-13-21)32(8)23-12-31(7)53-29-35(23,54-31)37(45,27(50-18(3)40)26(32)49-17(2)39)33-15-47-24(43)11-22(33)30(6)14-34(33,44)36(29,52-20(5)42)28(30)51-19(4)41/h9-10,13,22-23,25-29,44-45H,11-12,14-15H2,1-8H3/t22-,23+,25+,26-,27+,28-,29-,30-,31?,32+,33+,34+,35+,36-,37-/m0/s1
InChIKey: InChIKey=LBCZHMVQSTYPJX-PQRNAITKSA-N
Formula: C37H44O17
Molecular Weight: 760.736505
Exact Mass: 760.25785
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) | 85.5 |
| 2 (C) | 81 |
| 3 (CH) | 82.8 |
| 4 (C) | 45.6 |
| 5 (CH) | 40.4 |
| 6 (CH2) | 31.3 |
| 7 (C) | 172.7 |
| 8 (C) | 89.6 |
| 9 (C) | 75.1 |
| 10 (C) | 52.3 |
| 11 (CH) | 71.3 |
| 12 (CH) | 72 |
| 13 (C) | 41.5 |
| 14 (CH) | 44.2 |
| 15 (CH2) | 35.3 |
| 17 (CH) | 71.2 |
| 18 (CH3) | 19 |
| 19 (CH2) | 69.3 |
| 20 (C) | 122.3 |
| 21 (CH) | 140.1 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 15 |
| 29 (CH2) | 38.8 |
| 30 (CH) | 71 |
| 2a (C) | 169.6 |
| 2b (CH3) | 20.8 |
| 3a (C) | 169.1 |
| 3b (CH3) | 20.9 |
| 11a (C) | 170.9 |
| 11b (CH3) | 20.9 |
| 15a (C) | 110.9 |
| 15b (CH3) | 18.7 |
| 17a (C) | 170 |
| 17b (CH3) | 20.6 |
| 21a (C) | 168.8 |
| 21b (CH3) | 20.4 |
