Spektraris NMR
Methyl 6-hydroxy-11b-acetoxy-12a-propanoyloxy-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate
Common Name: Methyl 6-hydroxy-11b-acetoxy-12a-propanoyloxy-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H36O11/c1-8-20(35)42-26-22(41-15(2)33)24-28(3)11-9-18(34)29(4,27(38)39-7)23(28)21(36)25(37)31(24,6)32-19(43-32)13-17(30(26,32)5)16-10-12-40-14-16/h9-12,14,17,19,22,24,26,36H,8,13H2,1-7H3/t17-,19+,22+,24+,26-,28-,29-,30+,31-,32+/m0/s1
InChIKey: InChIKey=MSPSOUKLPSVQMY-DPWJSYMOSA-N
Formula: C32H36O11
Molecular Weight: 596.62287
Exact Mass: 596.225762
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) | 150.7 |
| 2 (CH) | 126.8 |
| 3 (C) | 195.6 |
| 4 (C) | 59.3 |
| 5 (C) | 129.4 |
| 6 (C) | 141.9 |
| 7 (C) | 196.2 |
| 8 (C) | 46.2 |
| 9 (CH) | 42.9 |
| 10 (C) | 39.9 |
| 11 (CH) | 72.5 |
| 12 (CH) | 78.5 |
| 13 (C) | 45.1 |
| 14 (C) | 67.7 |
| 15 (CH) | 55.1 |
| 16 (CH2) | 32.1 |
| 17 (CH) | 41.6 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 25.4 |
| 20 (C) | 121.7 |
| 21 (CH) | 140.5 |
| 22 (CH) | 111.1 |
| 23 (CH) | 142.7 |
| 28 (CH3) | 22.9 |
| 29 (C) | 170 |
| 30 (CH3) | 22.5 |
| 11a (C) | 169.4 |
| 11b (CH3) | 21.1 |
| 12a (C) | 172.2 |
| 12b (CH2) | 27.7 |
| 12c (CH3) | 8.9 |
| 29a (CH3) | 53 |
