Spektraris NMR
Xylocarpins E
Common Name: Xylocarpins E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O15/c1-15(36)46-25(30(42)44-8)26-31(5)14-34(50-18(4)39)24(28(31)47-16(2)37)29(48-17(3)38)35(43)20-12-23(41)49-27(19-9-10-45-13-19)32(20,6)22(40)11-21(35)33(26,34)7/h9-10,13,20-22,24-29,40,43H,11-12,14H2,1-8H3/t20-,21-,22+,24+,25+,26+,27+,28-,29-,31+,32+,33-,34+,35+/m1/s1
InChIKey: InChIKey=KRYOGVYVKJASNO-FLTXPMRDSA-N
Formula: C35H44O15
Molecular Weight: 704.716223
Exact Mass: 704.268021
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, J., Wu, J., Deng, Z., Proksch, P., Lin, W. J Nat Prod (2007) 70, 772-8
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) | 87.8 |
| 2 (CH) | 46.2 |
| 3 (CH) | 76 |
| 4 (C) | 45.2 |
| 5 (CH) | 42.5 |
| 6 (CH) | 71.8 |
| 7 (C) | 170.3 |
| 8 (C) | 73.3 |
| 9 (CH) | 31 |
| 10 (C) | 47.7 |
| 11 (CH2) | 31.9 |
| 12 (CH) | 69 |
| 13 (C) | 40 |
| 14 (CH) | 45.6 |
| 15 (CH2) | 28.3 |
| 16 (C) | 169.8 |
| 17 (CH) | 77.3 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 22.4 |
| 20 (C) | 121.3 |
| 21 (CH) | 140.6 |
| 22 (CH) | 109.4 |
| 23 (CH) | 143.6 |
| 28 (CH3) | 15.6 |
| 29 (CH2) | 41 |
| 30 (CH) | 69.9 |
| 1a (C) | 168.6 |
| 1b (CH3) | 21.1 |
| 3a (C) | 169.6 |
| 3b (CH3) | 21.2 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21 |
| 7a (CH3) | 52.9 |
| 30a (C) | 170.6 |
| 30b (CH3) | 21.4 |
