Spektraris NMR
biligulaplenolide
Common Name: biligulaplenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O4/c1-16-8-7-9-20-13-30(24(15-29(16,20)6)19(4)27(32)34-30)22-10-17(2)28(5)14-23-18(3)26(31)33-25(23)12-21(28)11-22/h7,9,11-13,16-17,22H,8,10,14-15H2,1-6H3/t16-,17-,22+,28+,29+,30-/m0/s1
InChIKey: InChIKey=ODVJNWGWNQNGDM-BGIJUJJUSA-N
Formula: C30H34O4
Molecular Weight: 458.589682
Exact Mass: 458.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, J.Q., Zhang, M., Zhang, C.F., Qi, H.Y., Bashall, A., Bligh, S.W.A., Wang, Z.T. Phytochemistry (2008) 69, 2231-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 127.4 |
| 2 (CH) | 42.5 |
| 3 (CH2) | 26.6 |
| 4 (CH) | 36 |
| 5 (C) | 37.7 |
| 6 (CH2) | 34.4 |
| 7 (C) | 146.8 |
| 8 (C) | 148.6 |
| 9 (CH) | 108.4 |
| 10 (C) | 142.9 |
| 11 (C) | 121.4 |
| 12 (C) | 171.1 |
| 13 (CH3) | 8.5 |
| 14 (CH3) | 18.9 |
| 15 (CH3) | 15.4 |
| 1' (CH) | 127.4 |
| 2' (CH) | 130.6 |
| 3' (CH2) | 32.4 |
| 4' (CH) | 38.7 |
| 5' (C) | 43.7 |
| 6' (CH2) | 36.3 |
| 7' (C) | 161 |
| 8' (C) | 87.4 |
| 9' (CH) | 121.8 |
| 10' (C) | 146.1 |
| 11' (C) | 123.2 |
| 12' (C) | 173.2 |
| 13' (CH3) | 8.5 |
| 14' (CH3) | 17.3 |
| 15' (CH3) | 14.6 |
