Spektraris NMR
Zumketol
Common Name: Zumketol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O9/c1-14(31)37-23-24-29(6,21(34)12-20-27(3,4)39-22-11-18(33)25(35)30(20,22)24)19-8-7-17(16-9-10-36-13-16)28(19,5)26(23)38-15(2)32/h8-10,13,17-18,20,22-24,26,33H,7,11-12H2,1-6H3/t17-,18-,20-,22-,23+,24-,26-,28-,29+,30-/m0/s1
InChIKey: InChIKey=FTSWGUUXZGNMSV-UMDLGPEKSA-N
Formula: C30H36O9
Molecular Weight: 540.602588
Exact Mass: 540.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nihei, K., Asaka, Y., Mine, Y., Kubo, I. J Nat Prod (2005) 68, 244-7
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 (CH) | 83.5 |
| 2 (CH2) | 33 |
| 3 (CH) | 76.7 |
| 4 (C) | 80.9 |
| 5 (CH) | 60.7 |
| 6 (CH2) | 36.1 |
| 7 (C) | 207.9 |
| 8 (C) | 50.4 |
| 9 (CH) | 49.9 |
| 10 (C) | 57.2 |
| 11 (CH) | 74.3 |
| 12 (CH) | 82 |
| 13 (C) | 51.3 |
| 14 (C) | 149.6 |
| 15 (CH) | 129.6 |
| 16 (CH2) | 37.5 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 17 |
| 19 (C) | 219.8 |
| 20 (C) | 124.1 |
| 21 (CH) | 140.4 |
| 22 (CH) | 111.4 |
| 23 (CH) | 142.5 |
| 28 (CH3) | 29.8 |
| 29 (CH3) | 23.3 |
| 30 (CH3) | 30.2 |
| 11a (C) | 171.2 |
| 11b (CH3) | 22.4 |
| 12a (C) | 171.8 |
| 12b (CH3) | 21.1 |
