Spektraris NMR
d-Amyrin formate
Common Name: d-Amyrin formate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O2/c1-26(2)15-16-28(5)17-18-30(7)21(22(28)19-26)9-10-24-29(6)13-12-25(33-20-32)27(3,4)23(29)11-14-31(24,30)8/h20,23-25H,9-19H2,1-8H3/t23-,24+,25-,28+,29-,30+,31+/m0/s1
InChIKey: InChIKey=RHDDBEBMDDUIAT-ZXLWQATQSA-N
Formula: C31H50O2
Molecular Weight: 454.72866
Exact Mass: 454.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R., Matsunaga S. Phytochemistry (1988) 27, 3579
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.7 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.8 |
| 8 (C) | 41 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 26.3 |
| 13 (C) | 134.2 |
| 14 (C) | 44.6 |
| 15 (CH2) | 25 |
| 16 (CH2) | 36.6 |
| 17 (C) | 34.6 |
| 18 (C) | 133.3 |
| 19 (CH2) | 39.4 |
| 20 (C) | 33.4 |
| 21 (CH2) | 35.4 |
| 22 (CH2) | 38.5 |
| 23 (CH3) | 28 |
| 24 (CH3) | 17.7 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 21.3 |
| 28 (CH3) | 24.1 |
| 29 (CH3) | 32.3 |
| 30 (CH3) | 23.8 |
| 3a (CH) | 161.1 |
