Spektraris NMR
Junceellonoids B
Common Name: Junceellonoids B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-14-8-10-21(36-17(4)30)27(7)22(37-18(5)31)11-9-20(13-35-16(3)29)12-23-28(34,15(2)26(33)39-23)25(24(14)27)38-19(6)32/h12,15,21-25,34H,1,8-11,13H2,2-7H3/b20-12+/t15-,21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=QVEALHMFPGFOSC-GWZHTXLRSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, W., Guo, Y.W., Mollo, E., Cimino, G. Helv Chim Acta (2004) 87, 2341-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 47.2 |
| 2 (CH) | 74.7 |
| 3 (CH2) | 31.8 |
| 4 (CH2) | 25.7 |
| 5 (C) | 142.2 |
| 6 (CH) | 120.4 |
| 7 (CH) | 77.3 |
| 8 (C) | 83.4 |
| 9 (CH) | 71.3 |
| 10 (CH) | 42.4 |
| 11 (C) | 151.1 |
| 12 (CH2) | 26.3 |
| 13 (CH2) | 27.4 |
| 14 (CH) | 74 |
| 15 (CH3) | 15.4 |
| 16 (CH2) | 67.5 |
| 17 (CH) | 42.6 |
| 18 (CH3) | 6.7 |
| 19 (C) | 175.8 |
| 20 (CH2) | 113.2 |
| 2a (C) | 170.8 |
| 2b (CH3) | 21.1 |
| 9a (C) | 169.4 |
| 9b (CH3) | 21.8 |
| 14a (C) | 170.8 |
| 14b (CH3) | 21.2 |
| 16a (C) | 170.2 |
| 16b (CH3) | 20.9 |
