Spektraris NMR
Chuktabularin C
Common Name: Chuktabularin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H50O17/c1-11-35-15-25-33(8,27(50-18(2)40)23-12-13-49-16-23)28(51-19(3)41)29(52-20(4)42)39(47)34(9)24(14-26(45)48-10)32(7)17-36(34,46)38(54-22(6)44,30(32)53-21(5)43)31(55-35)37(25,39)56-35/h12-13,16,24-25,27-31,46-47H,11,14-15,17H2,1-10H3/t24-,25+,27+,28-,29+,30-,31-,32-,33+,34+,35?,36+,37+,38-,39-/m0/s1
InChIKey: InChIKey=XTXPDLAQDCVMBB-RIURQMPTSA-N
Formula: C39H50O17
Molecular Weight: 790.805621
Exact Mass: 790.3048
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) | 84.5 |
| 2 (C) | 82.3 |
| 3 (CH) | 83.5 |
| 4 (C) | 45.4 |
| 5 (CH) | 41.2 |
| 6 (CH2) | 34.1 |
| 7 (C) | 173.2 |
| 8 (C) | 90 |
| 9 (C) | 76.2 |
| 10 (C) | 52.6 |
| 11 (CH) | 72.4 |
| 12 (CH) | 73.2 |
| 13 (C) | 41.6 |
| 14 (CH) | 44.4 |
| 15 (CH2) | 34 |
| 17 (CH) | 71.3 |
| 18 (CH3) | 19 |
| 19 (CH3) | 17.7 |
| 20 (C) | 122.3 |
| 21 (CH) | 140.5 |
| 22 (CH) | 109.6 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 16 |
| 29 (CH2) | 40 |
| 30 (CH) | 70.7 |
| 2a (C) | 169.6 |
| 2b (CH3) | 21 |
| 3a (C) | 169.5 |
| 3b (CH3) | 21.1 |
| 7a (CH3) | 51.7 |
| 11a (C) | 169.5 |
| 11b (CH3) | 20.9 |
| 15a (C) | 112.6 |
| 15b (CH2) | 26 |
| 15c (CH3) | 7.9 |
| 17a (C) | 169.2 |
| 17b (CH3) | 20.6 |
| 21a (C) | 168.7 |
| 21b (CH3) | 20.4 |
