Spektraris NMR
Xylocarpin A
Common Name: Xylocarpin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O14/c1-16(36)45-25(30(41)43-8)26-32(6)15-34(49-19(4)39)24(28(32)46-17(2)37)29(47-18(3)38)35(42)21(33(26,34)7)9-11-31(5)22(35)13-23(40)48-27(31)20-10-12-44-14-20/h10,12,14,21-22,24-29,42H,9,11,13,15H2,1-8H3/t21-,22-,24+,25+,26+,27+,28-,29-,31-,32+,33-,34+,35-/m1/s1
InChIKey: InChIKey=MODWWVKERCVJOU-CEHYJRDBSA-N
Formula: C35H44O14
Molecular Weight: 688.716819
Exact Mass: 688.273106
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) | 88 |
| 2 (CH) | 46.2 |
| 3 (CH) | 76 |
| 4 (C) | 45.2 |
| 5 (CH) | 42.4 |
| 6 (CH) | 71.9 |
| 7 (C) | 170.3 |
| 8 (C) | 73.6 |
| 9 (CH) | 55.6 |
| 10 (C) | 47.8 |
| 11 (CH2) | 23.4 |
| 12 (CH2) | 34.4 |
| 13 (C) | 35.6 |
| 14 (CH) | 50.7 |
| 15 (CH2) | 28.5 |
| 16 (C) | 170.2 |
| 17 (CH) | 77.7 |
| 18 (CH3) | 23.7 |
| 19 (CH3) | 22.9 |
| 20 (C) | 121.6 |
| 21 (CH) | 140.1 |
| 22 (CH) | 109.4 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 15.7 |
| 29 (CH2) | 40.9 |
| 30 (CH) | 70.2 |
| 1a (C) | 168.5 |
| 1b (CH3) | 21.2 |
| 3a (C) | 169.5 |
| 3b (CH3) | 22.1 |
| 6a (C) | 169.7 |
| 6b (CH3) | 21 |
| 7a (CH3) | 52.9 |
| 30a (C) | 170.7 |
| 30b (CH3) | 21.4 |
