Spektraris NMR
Endecaphyllacin B
Common Name: Endecaphyllacin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O4/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/h6,8,14,16,24H,7,9-11H2,1-5H3/t14-,16+,20+,21+,22+/m1/s1
InChIKey: InChIKey=ZNVJUUJXCJWXED-SGBJRMOLSA-N
Formula: C22H28O4
Molecular Weight: 356.456151
Exact Mass: 356.198759
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 (CH) | 115.6 |
| 2 (C) | 147.4 |
| 3 (C) | 198.8 |
| 4 (C) | 48.6 |
| 5 (C) | 137.6 |
| 6 (CH) | 120 |
| 7 (CH2) | 24.1 |
| 8 (CH) | 42.2 |
| 9 (C) | 50.6 |
| 10 (CH) | 35.2 |
| 11 (C) | 211.7 |
| 12 (CH2) | 46.3 |
| 13 (C) | 44.5 |
| 14 (C) | 45.5 |
| 15 (CH2) | 50.4 |
| 16 (C) | 215.6 |
| 17 (CH2) | 49.4 |
| 18 (CH3) | 24.2 |
| 19 (CH3) | 20 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 20.9 |
| 30 (CH3) | 18.4 |
