Spektraris NMR
21a-Hydroxy-3b-methoxyserrat-14-en-29-al
Common Name: 21a-Hydroxy-3b-methoxyserrat-14-en-29-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-27(2)22-12-15-28(3)18-20-8-10-24-29(4,16-13-25(33)31(24,6)19-32)21(20)9-11-23(28)30(22,5)17-14-26(27)34-7/h8,19,21-26,33H,9-18H2,1-7H3/t21-,22-,23-,24+,25-,26-,28-,29+,30-,31+/m0/s1
InChIKey: InChIKey=IMRSGHHKTLWPAN-KSOATNRFSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsujimoto, K., Muraoka, O., Matsunaga, S. Phytochemistry (1998) 47, 839-43
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) | 38.5 |
| 2 (CH2) | 22.3 |
| 3 (CH) | 88.4 |
| 4 (C) | 38.9 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 45.1 |
| 8 (C) | 37.1 |
| 9 (CH) | 62.7 |
| 10 (C) | 38.2 |
| 11 (CH2) | 25.6 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 55.5 |
| 14 (C) | 138.6 |
| 15 (CH) | 120.9 |
| 16 (CH2) | 23.9 |
| 17 (CH) | 51 |
| 18 (C) | 36.3 |
| 19 (CH2) | 37.1 |
| 20 (CH2) | 28.4 |
| 21 (CH) | 77.5 |
| 22 (C) | 52.4 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 19.8 |
| 27 (CH2) | 55.9 |
| 28 (CH3) | 13.1 |
| 29 (CH) | 208.2 |
| 30 (CH3) | 19 |
| 3a (CH3) | 57.5 |
