Spektraris NMR
13β,14β-epoxy-3β-methoxyserratan-21β-ol
Common Name: 13β,14β-epoxy-3β-methoxyserratan-21β-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-25(2)21-10-17-30-19-27(5)14-9-20-26(3,4)24(33-8)13-15-28(20,6)22(27)11-18-31(30,34-30)29(21,7)16-12-23(25)32/h20-24,32H,9-19H2,1-8H3/t20-,21-,22-,23+,24-,27-,28-,29-,30+,31+/m0/s1
InChIKey: InChIKey=KXYFBHNGKKOKLF-VCLXTAIVSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Ishikawa, Y., Minami, T., Minoura, K., Tokuda, H., Matsunaga, S. Planta Med (2003) 69, 1041-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 38.3 |
| 2 (CH2) | 22.3 |
| 3 (CH) | 88.5 |
| 4 (C) | 38.9 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 45 |
| 8 (C) | 37 |
| 9 (CH) | 61.7 |
| 10 (C) | 38.3 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 27.9 |
| 13 (C) | 70 |
| 14 (C) | 63.9 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 17.3 |
| 17 (CH) | 36.5 |
| 18 (C) | 37.8 |
| 19 (CH2) | 27.4 |
| 20 (CH2) | 25.3 |
| 21 (CH) | 75.5 |
| 22 (C) | 37.4 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 21.9 |
| 27 (CH2) | 53.8 |
| 28 (CH3) | 16.7 |
| 29 (CH3) | 22 |
| 30 (CH3) | 28.5 |
| 3a (CH3) | 57.5 |
