Spektraris NMR
Malleastrone C
Common Name: Malleastrone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O11/c1-14(2)24(37)41-23-21(36)22-28(5)19(35)11-18(34)27(4)13-40-31(25(27)28,42-15(3)33)26(38)30(22,7)32-20(43-32)10-17(29(23,32)6)16-8-9-39-12-16/h8-9,12,14,17,19-23,25,35-36H,10-11,13H2,1-7H3/t17-,19+,20+,21+,22+,23-,25-,27-,28+,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=WJTGTEMWMHUCEK-KDRLOBMWSA-N
Formula: C32H40O11
Molecular Weight: 600.654633
Exact Mass: 600.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Murphy, B.T., Brodie, P., Slebodnick, C., Miller, J.S., Birkinshaw, C., Randrianjanaka, L.M., Andriantsiferana, R., Rasamison, V.E., TenDyke, K., Suh, E.M., Kingston, D.G.I. J Nat Prod (2008) 71, 325-9
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) | 71.9 |
| 2 (CH2) | 46.4 |
| 3 (C) | 212.4 |
| 4 (C) | 52.8 |
| 5 (CH) | 56.1 |
| 6 (C) | 109.4 |
| 7 (C) | 199.6 |
| 8 (C) | 49.5 |
| 9 (CH) | 41 |
| 10 (C) | 40.4 |
| 11 (CH) | 75.2 |
| 12 (CH) | 85.3 |
| 13 (C) | 45.4 |
| 14 (C) | 70.9 |
| 15 (CH) | 57.3 |
| 16 (CH2) | 32.3 |
| 17 (CH) | 41.2 |
| 18 (CH3) | 14.8 |
| 19 (CH3) | 17.3 |
| 20 (C) | 122.7 |
| 21 (CH) | 140.4 |
| 22 (CH) | 111.9 |
| 23 (CH) | 142.3 |
| 28 (CH2) | 78.9 |
| 29 (CH3) | 26.7 |
| 30 (CH3) | 23 |
| 6a (C) | 170.8 |
| 6b (CH3) | 21.4 |
| 12a (C) | 178.2 |
| 12b (CH) | 34.1 |
| 12c (CH3) | 18.4 |
| 12ba (CH3) | 18.9 |
