Spektraris NMR
Methyl 6-hydroxy-11b-acetoxy-12a-(2-methylbutanoyloxy)-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate
Common Name: Methyl 6-hydroxy-11b-acetoxy-12a-(2-methylbutanoyloxy)-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O11/c1-9-16(2)28(39)44-27-23(43-17(3)35)25-30(4)12-10-20(36)31(5,29(40)41-8)24(30)22(37)26(38)33(25,7)34-21(45-34)14-19(32(27,34)6)18-11-13-42-15-18/h10-13,15-16,19,21,23,25,27,37H,9,14H2,1-8H3/t16?,19-,21+,23+,25+,27-,30-,31-,32+,33-,34+/m0/s1
InChIKey: InChIKey=WCANMRDCBZNWSJ-SKFZDEIUSA-N
Formula: C34H40O11
Molecular Weight: 624.676105
Exact Mass: 624.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simmonds, M.S., Stevenson, P.C., Porter, E.A., Veitch, N.C. J Nat Prod (2001) 64, 1117-20
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) | 150.5 |
| 2 (CH) | 126.8 |
| 3 (C) | 195.5 |
| 4 (C) | 59.3 |
| 5 (C) | 129.3 |
| 6 (C) | 142 |
| 7 (C) | 196.3 |
| 8 (C) | 46.2 |
| 9 (CH) | 42.8 |
| 10 (C) | 40 |
| 11 (CH) | 72.4 |
| 12 (CH) | 77.9 |
| 13 (C) | 45.3 |
| 14 (C) | 67.6 |
| 15 (CH) | 55.1 |
| 16 (CH2) | 32.3 |
| 17 (CH) | 41.5 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 25.2 |
| 20 (C) | 121.5 |
| 21 (CH) | 140.6 |
| 22 (CH) | 111.5 |
| 23 (CH) | 142.6 |
| 28 (CH3) | 22.9 |
| 29 (C) | 170 |
| 30 (CH3) | 22.5 |
| 11a (C) | 169.3 |
| 11b (CH3) | 21.1 |
| 12a (C) | 174.2 |
| 12b (CH) | 41 |
| 12c (CH3) | 16.3 |
| 12d (CH2) | 26.6 |
| 12e (CH3) | 11.5 |
| 29a (CH3) | 53 |
