Spektraris NMR
Malleastrone B
Common Name: Malleastrone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O10/c1-8-16(2)25(37)41-24-22(36)23-28(4)11-9-20(35)29(5)15-40-32(26(28)29,42-17(3)34)27(38)31(23,7)33-21(43-33)13-19(30(24,33)6)18-10-12-39-14-18/h9-12,14,16,19,21-24,26,36H,8,13,15H2,1-7H3/t16-,19-,21+,22+,23+,24-,26+,28+,29-,30+,31-,32+,33+/m0/s1
InChIKey: InChIKey=RDMOWPHFYJPTPP-SSZAIHIRSA-N
Formula: C33H40O10
Molecular Weight: 596.665964
Exact Mass: 596.262148
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) | 155.3 |
| 2 (CH) | 128.4 |
| 3 (C) | 201.3 |
| 4 (C) | 51.8 |
| 5 (CH) | 63.2 |
| 6 (C) | 106.1 |
| 7 (C) | 202.3 |
| 8 (C) | 49.1 |
| 9 (CH) | 43 |
| 10 (C) | 38.4 |
| 11 (CH) | 75.6 |
| 12 (CH) | 85.8 |
| 13 (C) | 46.3 |
| 14 (C) | 74.6 |
| 15 (CH) | 59.8 |
| 16 (CH2) | 33.6 |
| 17 (CH) | 38.7 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 26.8 |
| 20 (C) | 123.2 |
| 21 (CH) | 140.9 |
| 22 (CH) | 112.6 |
| 23 (CH) | 142 |
| 28 (CH2) | 77.8 |
| 29 (CH3) | 28 |
| 30 (CH3) | 25.6 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21 |
| 12a (C) | 179.4 |
| 12b (CH) | 40.9 |
| 12c (CH2) | 25.8 |
| 12d (CH3) | 11.8 |
| 12ba (CH3) | 16.9 |
