Spektraris NMR
swiemahogins B
Common Name: swiemahogins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O13/c1-13(30)41-17-10-23(2,20(33)14-6-7-40-11-14)16-9-19(32)42-28(16)22(35)27(37)21(34)24(3)12-26(27,36)25(4,29(17,28)38)15(24)8-18(31)39-5/h6-7,9,11,15,17,20-22,33-38H,8,10,12H2,1-5H3/t15-,17+,20+,21-,22+,23+,24-,25+,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=SBMSWBMGVUGSMB-KYBRNVMWSA-N
Formula: C29H36O13
Molecular Weight: 592.589472
Exact Mass: 592.215591
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, Y.Y., Wang, X.N., Fan, C.Q., Yin, S., Yue, J.M. Tetrahedron Lett (2007) 48, 7480-4
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) | 84.3 |
| 2 (C) | 76.8 |
| 3 (CH) | 86.1 |
| 4 (C) | 43.8 |
| 5 (CH) | 39.8 |
| 6 (CH2) | 33.5 |
| 7 (C) | 172.7 |
| 8 (C) | 95.4 |
| 9 (C) | 79.3 |
| 10 (C) | 53.1 |
| 11 (CH) | 73.3 |
| 12 (CH2) | 35.3 |
| 13 (C) | 44.9 |
| 14 (C) | 175.2 |
| 15 (CH) | 119.6 |
| 16 (C) | 170.6 |
| 17 (CH) | 67.7 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 15.4 |
| 20 (C) | 123.2 |
| 21 (CH) | 141.1 |
| 22 (CH) | 110 |
| 23 (CH) | 142.6 |
| 28 (CH3) | 14.9 |
| 29 (CH2) | 41.9 |
| 30 (CH) | 65 |
| 7a (CH3) | 52 |
| 11a (C) | 169.1 |
| 11b (CH3) | 29.7 |
