Spektraris NMR
Trichilin B
Common Name: Trichilin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O13/c1-8-15(2)29(42)47-30-31(5)20-12-21(38)33(7)25(34(20,14-44-30)27(41)24(45-16(3)36)28(31)46-17(4)37)23(39)26(40)32(6)19(18-9-10-43-13-18)11-22-35(32,33)48-22/h9-10,13,15,19-22,24-28,30,38,40-41H,8,11-12,14H2,1-7H3/t15?,19-,20-,21+,22+,24+,25-,26-,27-,28+,30?,31+,32+,33+,34-,35+/m0/s1
InChIKey: InChIKey=AYBKFVIPPCLFDH-QPBAUAPSSA-N
Formula: C35H46O13
Molecular Weight: 674.733295
Exact Mass: 674.293842
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakatani, M., Huang, R.C., Okamura, H., Naoki, H., Iwagawa, T. Phytochemistry (1994) 36, 39-41
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) | 72.8 |
| 2 (CH) | 68.6 |
| 3 (CH) | 73 |
| 4 (C) | 40.7 |
| 5 (CH) | 41.2 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 71.7 |
| 8 (C) | 42.4 |
| 9 (CH) | 46.2 |
| 10 (C) | 42.3 |
| 11 (C) | 213.2 |
| 12 (CH) | 78.9 |
| 13 (C) | 47.3 |
| 14 (C) | 70 |
| 15 (CH) | 59.2 |
| 16 (CH2) | 33.1 |
| 17 (CH) | 38.6 |
| 18 (CH3) | 25.3 |
| 19 (CH2) | 64.1 |
| 20 (C) | 123.5 |
| 21 (CH) | 142.3 |
| 22 (CH) | 112.8 |
| 23 (CH) | 140.8 |
| 28 (CH3) | 18.6 |
| 29 (CH) | 93.5 |
| 30 (CH3) | 22.7 |
| 2a (C) | 169 |
| 2b (CH3) | 20.6 |
| 3a (C) | 170.1 |
| 3b (CH3) | 20.8 |
| 29a (C) | 175.3 |
| 29b (CH) | 27.7 |
| 29c (CH2) | 26.4 |
| 29d (CH3) | 11.3 |
| 29ba (CH3) | 16.3 |
