Spektraris NMR
Endecaphyllacin A
Common Name: Endecaphyllacin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-19(2)13-6-7-16-21(4)10-12(23)9-20(21,3)11-17(25)22(16,5)14(13)8-15(24)18(19)26/h6,14-16,24H,7-11H2,1-5H3/t14-,15+,16+,20+,21+,22+/m1/s1
InChIKey: InChIKey=IFGHJNUABITDAU-JTBILLDWSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, J.C., Zhang, G.H., Zhang, Z.Q., Qiu, M.H., Zheng, Y.T., Yang, L.M., Yu, K.B. J Nat Prod (2008) 71, 153-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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 (CH2) | 37 |
| 2 (CH) | 72.3 |
| 3 (C) | 213.1 |
| 4 (C) | 51 |
| 5 (C) | 141.2 |
| 6 (CH) | 119.6 |
| 7 (CH2) | 24.4 |
| 8 (CH) | 43 |
| 9 (C) | 50.2 |
| 10 (CH) | 34.2 |
| 11 (C) | 210.9 |
| 12 (CH2) | 46.1 |
| 13 (C) | 44.4 |
| 14 (C) | 45.3 |
| 15 (CH2) | 50.2 |
| 16 (C) | 215.7 |
| 17 (CH2) | 49.4 |
| 18 (CH3) | 24.2 |
| 19 (CH3) | 20 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 19.1 |
