Spektraris NMR
Chuktabrin B
Common Name: Chuktabrin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H46O20/c1-16(42)38-27-22(11-12-52-27)26(54-18(3)44)34(8)28(55-19(4)45)25(49)41-36(15-53-17(2)43)23(13-24(48)51-10)33(7)14-37(36)40(58-21(6)47,30(33)56-20(5)46)31(57-32(38)50)39(41,29(34)38)60-35(9,59-37)61-41/h11-12,23,25-26,28-31,49H,13-15H2,1-10H3/t23-,25+,26-,28-,29?,30-,31-,33-,34+,35?,36+,37+,38+,39+,40-,41-/m0/s1
InChIKey: InChIKey=MIXNSBLXKXZOND-JRZMYAECSA-N
Formula: C41H46O20
Molecular Weight: 858.793545
Exact Mass: 858.258244
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) | 84.5 |
| 2 (C) | 83.2 |
| 3 (CH) | 81.9 |
| 4 (C) | 46 |
| 5 (CH) | 35.6 |
| 6 (CH2) | 32.6 |
| 7 (C) | 171.8 |
| 8 (C) | 81.2 |
| 9 (C) | 83.5 |
| 10 (C) | 47.9 |
| 11 (CH) | 70.3 |
| 12 (CH) | 69.3 |
| 13 (C) | 40.4 |
| 14 (CH) | 47.9 |
| 15 (C) | 56.8 |
| 16 (C) | 165.5 |
| 17 (CH) | 67.6 |
| 18 (CH3) | 25.4 |
| 19 (CH2) | 66.3 |
| 20 (C) | 118.8 |
| 21 (C) | 146.3 |
| 22 (CH) | 110.7 |
| 23 (CH) | 144.3 |
| 28 (CH3) | 14.2 |
| 29 (CH2) | 40 |
| 30 (CH) | 75.3 |
| 1a (C) | 119.5 |
| 1b (CH3) | 20.5 |
| 2a (C) | 169.8 |
| 2b (CH3) | 21 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.7 |
| 7a (CH3) | 51.8 |
| 12a (C) | 170.5 |
| 12b (CH3) | 20.9 |
| 15a (C) | 203 |
| 15b (CH3) | 29 |
| 17a (C) | 170.5 |
| 17b (CH3) | 21.7 |
| 19a (C) | 169.7 |
| 19b (CH3) | 21.7 |
