Spektraris NMR
Grandifolide A
Common Name: Grandifolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O11/c1-14(30)38-23-24(2,3)20(19(32)22(33)36-6)26(5)16-7-9-25(4)17(27(16)13-28(23,34)29(26,35)40-27)11-18(31)39-21(25)15-8-10-37-12-15/h8,10,12,16-17,19-21,23,32,34-35H,7,9,11,13H2,1-6H3/t16-,17-,19-,20+,21+,23+,25-,26-,27-,28-,29+/m1/s1
InChIKey: InChIKey=ZKGNGSWVMAHGRU-QIOLKHRYSA-N
Formula: C29H38O11
Molecular Weight: 562.606544
Exact Mass: 562.241412
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, H., Odeku, O.A., Wang, X.N., Yue, J.M. Phytochemistry (2008) 69, 271-5
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 (C) | 110.3 |
| 2 (C) | 80.2 |
| 3 (CH) | 84.4 |
| 4 (C) | 38.5 |
| 5 (CH) | 46.7 |
| 6 (CH) | 71.4 |
| 7 (C) | 175.8 |
| 8 (C) | 79.2 |
| 9 (CH) | 64.3 |
| 10 (C) | 46.2 |
| 11 (CH2) | 22 |
| 12 (CH2) | 36.3 |
| 13 (C) | 35.7 |
| 14 (CH) | 45.8 |
| 15 (CH2) | 28.5 |
| 16 (C) | 170.5 |
| 17 (CH) | 78.4 |
| 18 (CH3) | 22.9 |
| 19 (CH3) | 22.7 |
| 20 (C) | 122.7 |
| 21 (CH) | 141.5 |
| 22 (CH) | 110.9 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 25.5 |
| 29 (CH3) | 24.5 |
| 30 (CH2) | 41.1 |
| 3a (C) | 171.1 |
| 3b (CH3) | 20.7 |
| 7a (CH3) | 51.8 |
