Spektraris NMR
Malayenolide D
Common Name: Malayenolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O7/c1-14(2)10-24(29)33-21-9-8-15(3)11-19-18(16(4)25(30)32-19)12-20-26(21,6)22(31-17(5)28)13-23-27(20,7)34-23/h10-11,19-23H,8-9,12-13H2,1-7H3/b15-11-/t19-,20?,21-,22-,23-,26-,27+/m0/s1
InChIKey: InChIKey=UYKZHWUYJJYTLX-YJNHNBRRSA-N
Formula: C27H36O7
Molecular Weight: 472.571571
Exact Mass: 472.246104
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) | 41.3 |
| 2 (CH) | 73.1 |
| 3 (CH2) | 33.7 |
| 4 (CH2) | 29.4 |
| 5 (C) | 143.9 |
| 6 (CH) | 122.6 |
| 7 (CH) | 80.9 |
| 8 (C) | 160.4 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 35.7 |
| 11 (C) | 63.1 |
| 12 (CH) | 60.8 |
| 13 (CH2) | 25.7 |
| 14 (CH) | 72.6 |
| 15 (CH3) | 13.7 |
| 16 (CH3) | 27.7 |
| 17 (C) | 125.1 |
| 18 (CH3) | 9.4 |
| 19 (C) | 174 |
| 20 (CH3) | 23 |
| 2a (C) | 165.8 |
| 2b (CH) | 115.6 |
| 2c (C) | 157.4 |
| 2d (CH3) | 27.4 |
| 2ca (CH3) | 20.3 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21.1 |
