Spektraris NMR
Trijugins H
Common Name: Trijugins H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O11/c1-9-15(2)24(35)41-26-28(4,5)21-20(25(36)38-8)42-32(26,37)27-30(21,7)22(34)18-12-29(6)23(17-10-11-39-14-17)40-19(33)13-31(29,43-27)16(18)3/h10-11,14-15,18,20-21,23,26-27,37H,3,9,12-13H2,1-2,4-8H3/t15?,18-,20-,21?,23-,26+,27+,29-,30-,31-,32-/m0/s1
InChIKey: InChIKey=AGULQVOIQGROLM-WHZZILDMSA-N
Formula: C32H40O11
Molecular Weight: 600.654633
Exact Mass: 600.257062
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.N., Fan, C.Q., Yin, S., Gan, L.S., Yue, J.M. Phytochemistry (2008) 69, 1319-27
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) | 81.1 |
| 2 (C) | 97.3 |
| 3 (CH) | 76.4 |
| 4 (C) | 37.8 |
| 5 (CH) | 46.7 |
| 6 (CH) | 73.4 |
| 7 (C) | 173.6 |
| 8 (C) | 146.9 |
| 9 (C) | 210.9 |
| 10 (C) | 56.6 |
| 11 (CH) | 54.9 |
| 12 (CH2) | 39 |
| 13 (C) | 45.6 |
| 14 (C) | 88.3 |
| 15 (CH2) | 33 |
| 16 (C) | 168.1 |
| 17 (CH) | 78.1 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 27.6 |
| 20 (C) | 122.7 |
| 21 (CH) | 140.4 |
| 22 (CH) | 109.2 |
| 23 (CH) | 143.8 |
| 28 (CH3) | 32 |
| 29 (CH3) | 24.3 |
| 30 (CH2) | 116.1 |
| 3a (C) | 177 |
| 3b (CH) | 40.8 |
| 3c (CH2) | 25.9 |
| 3d (CH3) | 11.4 |
| 3ba (CH3) | 16.6 |
| 7a (CH3) | 51.4 |
