Spektraris NMR
3-Epi-a-amyrin
Common Name: 3-Epi-a-amyrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24-,25+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=FSLPMRQHCOLESF-ACUMZOKISA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tamai M., Watanabe N., Someya M., Kondoh H., Omura S., Ling Z.P., Chang R., Ming C.W. Planta Med (1989) 55, 44
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 33.2 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 76.1 |
| 4 (C) | 37.3 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.2 |
| 9 (CH) | 47.5 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.2 |
| 12 (CH) | 124.4 |
| 13 (C) | 139.5 |
| 14 (C) | 42.1 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 28.1 |
| 17 (C) | 33.7 |
| 18 (CH) | 59.1 |
| 19 (CH) | 39.6 |
| 20 (CH) | 39.6 |
| 21 (CH2) | 31.3 |
| 22 (CH2) | 41.5 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 22.3 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 23.4 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 17.4 |
| 30 (CH3) | 21.4 |
