Spektraris NMR
Xylocarpin C
Common Name: Xylocarpin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O13/c1-15(34)43-22-10-21-31(6)19(11-23(37)41-7)29(4)14-32(31,39)25(27(29)44-16(2)35)28(45-17(3)36)33(21,40)20-12-24(38)46-26(30(20,22)5)18-8-9-42-13-18/h8-9,13,19-22,25-28,39-40H,10-12,14H2,1-7H3/t19-,20+,21+,22-,25-,26-,27+,28+,29-,30-,31-,32-,33-/m0/s1
InChIKey: InChIKey=ZMAJTCVWPJLNNB-WDZCNFHCSA-N
Formula: C33H42O13
Molecular Weight: 646.68006
Exact Mass: 646.262541
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) | 81.5 |
| 2 (CH) | 51.3 |
| 3 (CH) | 76.6 |
| 4 (C) | 45.3 |
| 5 (CH) | 39.6 |
| 6 (CH2) | 33.4 |
| 7 (C) | 173.4 |
| 8 (C) | 75.3 |
| 9 (CH) | 46.9 |
| 10 (C) | 45.4 |
| 11 (CH2) | 27.7 |
| 12 (CH) | 71.6 |
| 13 (C) | 39.6 |
| 14 (CH) | 46.8 |
| 15 (CH2) | 28 |
| 16 (C) | 169 |
| 17 (CH) | 77.1 |
| 18 (CH3) | 18.9 |
| 19 (CH3) | 22.4 |
| 20 (C) | 120.5 |
| 21 (CH) | 140.6 |
| 22 (CH) | 109.2 |
| 23 (CH) | 143.9 |
| 28 (CH3) | 15.6 |
| 29 (CH2) | 43.5 |
| 30 (CH) | 72.2 |
| 3a (C) | 169.9 |
| 3b (CH3) | 21.2 |
| 7a (CH3) | 51.9 |
| 12a (C) | 169.8 |
| 12b (CH3) | 21.5 |
| 30a (C) | 170.7 |
| 30b (CH3) | 21 |
