Spektraris NMR
Schisanterpene B
Common Name: Schisanterpene B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-22(2)18-14-16(28)21-24(4)9-6-17(25(5)10-8-20(30)31-25)23(24,3)12-13-27(21)15-26(18,27)11-7-19(22)29/h16-18,21,28H,6-15H2,1-5H3/t16-,17-,18-,21-,23+,24-,25+,26+,27-/m0/s1
InChIKey: InChIKey=AMXFRRZRLVMMCY-ZFRIRACRSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, L., Huang, F., Chen, S., Xiao, P. Chem Pharm Bull (2006) 54, 542-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.92 |
| 2 (CH2) | 37.23 |
| 3 (C) | 216.17 |
| 4 (C) | 49.7 |
| 5 (CH) | 46.79 |
| 6 (CH2) | 31.38 |
| 7 (CH) | 70.68 |
| 8 (CH) | 54.48 |
| 9 (C) | 20.45 |
| 10 (C) | 26.61 |
| 11 (CH2) | 26.77 |
| 12 (CH2) | 32.57 |
| 13 (C) | 46.53 |
| 14 (C) | 48.27 |
| 15 (CH2) | 36.47 |
| 16 (CH2) | 22.87 |
| 17 (CH) | 54.75 |
| 18 (CH3) | 18.97 |
| 19 (CH2) | 28.34 |
| 20 (C) | 88.54 |
| 21 (CH3) | 26.52 |
| 22 (CH2) | 34.06 |
| 23 (CH2) | 27.98 |
| 24 (C) | 177.57 |
| 28 (CH3) | 22.18 |
| 29 (CH3) | 20.67 |
| 30 (CH3) | 18.97 |
