Spektraris NMR
Grandifoliolenone
Common Name: Grandifoliolenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-18(33)38-26-16-24-28(2,3)25(35)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19-15-21(34)27(37-17-19)29(4,5)36/h10,12,14,19-21,23-24,26-27,34,36H,9,11,13,15-17H2,1-8H3/t19-,20+,21-,23-,24+,26-,27-,30+,31-,32+/m1/s1
InChIKey: InChIKey=XDSCBKRFIHUOTA-QSKPJDOHSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mitsui, K., Saito, H., Yamamura, R., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. Chem Pharm Bull (2007) 55, 1442-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) | 158.4 |
| 2 (CH) | 125.5 |
| 3 (C) | 204.7 |
| 4 (C) | 44.2 |
| 5 (CH) | 46.2 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 74.9 |
| 8 (C) | 42.8 |
| 9 (CH) | 38.7 |
| 10 (C) | 39.8 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 35 |
| 13 (C) | 46.4 |
| 14 (C) | 159 |
| 15 (CH) | 119.6 |
| 16 (CH2) | 34.9 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 20.3 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 35.9 |
| 21 (CH2) | 70.1 |
| 22 (CH2) | 36.3 |
| 23 (CH) | 64.4 |
| 24 (CH) | 86.6 |
| 25 (C) | 74.2 |
| 26 (CH3) | 24.1 |
| 27 (CH3) | 28.6 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 27.3 |
| 7a (C) | 170.1 |
| 7b (CH3) | 21.2 |
