Spektraris NMR
18-O-(E)-p-Coumaroylbeyer-15-ene-11β ,18-diol
Common Name: 18-O-(E)-p-Coumaroylbeyer-15-ene-11β ,18-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O4/c1-26-15-16-29(18-26)14-11-23-27(2,12-4-13-28(23,3)25(29)22(31)17-26)19-33-24(32)10-7-20-5-8-21(30)9-6-20/h5-10,15-16,22-23,25,30-31H,4,11-14,17-19H2,1-3H3/b10-7+/t22-,23-,25+,26+,27-,28-,29+/m0/s1
InChIKey: InChIKey=XKAZSKDUKMFVFR-GLSQWSPKSA-N
Formula: C29H38O4
Molecular Weight: 450.610709
Exact Mass: 450.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, H.Y., Wu, L.J., Muto, N., Fuchino, H., Nakane, T., Shirota, O., Sano, T., Kuroyanagi, M. Chem Pharm Bull (2008) 56, 1030-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 39.2 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 35.9 |
| 4 (C) | 36.7 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 36.7 |
| 8 (C) | 48.3 |
| 9 (CH) | 59.9 |
| 10 (C) | 38.3 |
| 11 (CH) | 69.3 |
| 12 (CH2) | 45.3 |
| 13 (C) | 42.6 |
| 14 (CH2) | 63.3 |
| 15 (CH) | 140.9 |
| 16 (CH) | 141.4 |
| 17 (CH3) | 24.7 |
| 18 (CH2) | 73.2 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 18.7 |
| 1' (C) | 127.3 |
| 2' (CH) | 130 |
| 3' (CH) | 115.9 |
| 4' (C) | 157.7 |
| 5' (CH) | 115.9 |
| 6' (CH) | 130 |
| 7' (CH) | 144.3 |
| 8' (CH) | 115.8 |
| 9' (C) | 167.5 |
