Spektraris NMR
Methyl aleuritolate
Common Name: Methyl aleuritolate
Synonyms: Methyl aleuritolate
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-26(2)17-18-31(25(33)34-8)16-11-22-29(6)13-9-20-27(3,4)24(32)12-15-28(20,5)21(29)10-14-30(22,7)23(31)19-26/h11,20-21,23-24,32H,9-10,12-19H2,1-8H3/t20-,21+,23-,24-,28-,29+,30+,31+/m0/s1
InChIKey: InChIKey=ACTNUOISOVTKRF-HYMRXCEASA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Umbetova, A.K., Choudhary, M.I., Sultanova, N.A., Burasheva, G.S., Abilov, Z.A. Chem Nat Compd (2006) 42, 332-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 37.8 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 79 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 41.1 |
| 8 (C) | 39 |
| 9 (CH) | 49.1 |
| 10 (C) | 38 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 33.4 |
| 13 (C) | 37.4 |
| 14 (C) | 160.6 |
| 15 (CH) | 116.5 |
| 16 (CH2) | 31.7 |
| 17 (C) | 51.4 |
| 18 (CH) | 41.8 |
| 19 (CH2) | 35.5 |
| 20 (C) | 29.3 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 31.1 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 22.4 |
| 28 (C) | 178.5 |
| 29 (CH3) | 32.1 |
| 30 (CH3) | 28.7 |
| 28a (CH3) | 51.7 |
