Spektraris NMR
Malayenolide C
Common Name: Malayenolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O6/c1-15(2)12-25(29)33-24-10-8-16(3)13-22-20(18(5)26(30)32-22)14-21-17(4)9-11-23(27(21,24)7)31-19(6)28/h9,12-13,21-24H,8,10-11,14H2,1-7H3/b16-13-/t21?,22-,23-,24-,27+/m0/s1
InChIKey: InChIKey=PMDGLGKJUXVHAB-JPWDXMTDSA-N
Formula: C27H36O6
Molecular Weight: 456.572166
Exact Mass: 456.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fu, X., Schmitz, F.J., Williams, G.C. J Nat Prod (1999) 62, 584-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 41.4 |
| 2 (CH) | 73 |
| 3 (CH2) | 33.7 |
| 4 (CH2) | 29.6 |
| 5 (C) | 143.8 |
| 6 (CH) | 122.5 |
| 7 (CH) | 80.9 |
| 8 (C) | 160.1 |
| 9 (CH2) | 29.6 |
| 10 (CH) | 37.5 |
| 11 (C) | 136.4 |
| 12 (CH) | 116.6 |
| 13 (CH2) | 25.8 |
| 14 (CH) | 72.8 |
| 15 (CH3) | 14.6 |
| 16 (CH3) | 27.6 |
| 17 (C) | 124.4 |
| 18 (CH3) | 9.5 |
| 19 (C) | 174.1 |
| 20 (CH3) | 21.5 |
| 2a (C) | 165.8 |
| 2b (CH) | 115.7 |
| 2c (C) | 156.7 |
| 2d (CH3) | 27.3 |
| 2ca (CH3) | 20.1 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.1 |
