Spektraris NMR
Rubralin D
Common Name: Rubralin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O14/c1-11-37(6,49)34(46)36(48)51-20-38(7)27-16-30(54-35(47)33(45)21(2)3)40(9)26-13-12-25(24-14-15-50-19-24)39(26,8)29(52-22(4)42)17-28(40)41(27,10)31(53-23(5)43)18-32(44)55-38/h13-15,19,21,25,27-31,33-34,45-46,49H,11-12,16-18,20H2,1-10H3/t25-,27-,28-,29-,30+,31-,33?,34?,37?,38+,39-,40-,41-/m0/s1
InChIKey: InChIKey=UMSDVYJDIIBTJE-SFYMGOHXSA-N
Formula: C41H58O14
Molecular Weight: 774.892404
Exact Mass: 774.382657
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, L.G., Tang, C.P., Ke, C.Q., Zhang, Y., Ye, Y. J Nat Prod (2008) 71, 628-32
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 (CH) | 70.4 |
| 2 (CH2) | 35 |
| 3 (C) | 169.1 |
| 4 (C) | 85.3 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 26.3 |
| 7 (CH) | 75.1 |
| 8 (C) | 41.4 |
| 9 (CH) | 37.2 |
| 10 (C) | 44.1 |
| 11 (CH2) | 25.3 |
| 12 (CH) | 76.5 |
| 13 (C) | 51.2 |
| 14 (C) | 155 |
| 15 (CH) | 122.4 |
| 16 (CH2) | 36.7 |
| 17 (CH) | 49.7 |
| 18 (CH3) | 14.6 |
| 19 (CH3) | 15.4 |
| 20 (C) | 124.1 |
| 21 (CH) | 140.2 |
| 22 (CH) | 111.5 |
| 23 (CH) | 142.2 |
| 28 (CH3) | 29.7 |
| 29 (CH2) | 65.4 |
| 30 (CH3) | 29.1 |
| 1a (C) | 169.4 |
| 1b (CH3) | 20.7 |
| 7a (C) | 172.9 |
| 7b (CH) | 75.4 |
| 7c (CH) | 31.7 |
| 7d (CH3) | 19.3 |
| 7ca (CH3) | 15.7 |
| 12a (C) | 170.8 |
| 12b (CH3) | 21.3 |
| 29a (C) | 173.9 |
| 29b (CH) | 75.9 |
| 29c (C) | 74.5 |
| 29d (CH2) | 31.3 |
| 29e (CH3) | 8 |
| 29ca (CH3) | 22.1 |
