Spektraris NMR
Aleuritolonic acid
Common Name: Aleuritolonic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=RJPTYANCUZSYFG-LERFIFKESA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carpenter R.C., Sotheeswaram S., Sultanbawa M.U.S., Ternai B. Org Magn Reson (1980) 14, 462
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) | 38.4 |
| 2 (CH2) | 34.1 |
| 3 (C) | 217.3 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 35.4 |
| 8 (C) | 38.9 |
| 9 (CH) | 48.6 |
| 10 (C) | 37.3 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 31.3 |
| 13 (C) | 37.8 |
| 14 (C) | 162.1 |
| 15 (CH) | 117.1 |
| 16 (CH2) | 30.7 |
| 17 (C) | 51.5 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 40.3 |
| 20 (C) | 29.3 |
| 21 (CH2) | 33.7 |
| 22 (CH2) | 31.9 |
| 23 (CH3) | 26.1 |
| 24 (CH3) | 20 |
| 25 (CH3) | 15 |
| 26 (CH3) | 28.7 |
| 27 (CH3) | 25.9 |
| 28 (C) | 184.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 22.6 |
