Spektraris NMR
alpha-seco-amyrin
Common Name: alpha-seco-amyrin
Synonyms: alpha-seco-amyrin
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/s1
InChIKey: InChIKey=BMTRRCREWLAQBX-CHJNBIAGSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shibuya, M., Xiang, T., Katsube, Y., Otsuka, M., Zhang, H., Ebizuka, Y. J Am Chem Soc (2007) 129, 1450-5
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) | 37.2 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79.2 |
| 4 (C) | 38.6 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 121.7 |
| 8 (C) | 135.5 |
| 9 (CH) | 55.7 |
| 10 (C) | 37 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 39.3 |
| 13 (C) | 134.5 |
| 14 (C) | 124.8 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 27.2 |
| 17 (C) | 33.3 |
| 18 (CH) | 54.1 |
| 19 (CH) | 43.5 |
| 20 (CH) | 39.1 |
| 21 (CH2) | 31.3 |
| 22 (CH2) | 40.1 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 15.1 |
| 25 (CH3) | 13.7 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 19 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 18 |
| 30 (CH3) | 20.5 |
