Spektraris NMR
Malayenolide A
Common Name: Malayenolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O6/c1-17-11-13-26(35-28(32)21-9-7-6-8-10-21)29(5)23(18(2)12-14-25(29)33-20(4)30)16-22-19(3)27(31)34-24(22)15-17/h6-10,12,15,23-26H,11,13-14,16H2,1-5H3/b17-15-/t23-,24-,25-,26-,29+/m0/s1
InChIKey: InChIKey=BYTXNCPKVDXTRC-DIAZDVSWSA-N
Formula: C29H34O6
Molecular Weight: 478.577756
Exact Mass: 478.235539
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) | 41.7 |
| 2 (CH) | 74.9 |
| 3 (CH2) | 33.6 |
| 4 (CH2) | 29.5 |
| 5 (C) | 143.6 |
| 6 (CH) | 122.8 |
| 7 (CH) | 80.9 |
| 8 (C) | 159.9 |
| 9 (CH2) | 29.5 |
| 10 (CH) | 37.4 |
| 11 (C) | 136.3 |
| 12 (CH) | 116.7 |
| 13 (CH2) | 25.8 |
| 14 (CH) | 72.7 |
| 15 (CH3) | 14.8 |
| 16 (CH3) | 27.7 |
| 17 (C) | 124.6 |
| 18 (CH3) | 9.6 |
| 19 (C) | 174 |
| 20 (CH3) | 21.4 |
| 2a (C) | 166 |
| 2b (C) | 130.1 |
| 2c (CH) | 129.4 |
| 2d (CH) | 128.4 |
| 2e (CH) | 132.9 |
| 2f (CH) | 128.4 |
| 2g (CH) | 129.4 |
| 14a (C) | 170.3 |
| 14b (CH3) | 21.1 |
