Spektraris NMR
beta-seco-amyrin
Common Name: beta-seco-amyrin
Synonyms: beta-seco-amyrin
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1
InChIKey: InChIKey=BVMWOSNBDNNUBA-NBANTFJXSA-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 : 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) | 37.1 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79.2 |
| 4 (C) | 38.6 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 121.8 |
| 8 (C) | 135.4 |
| 9 (CH) | 55.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 26 |
| 12 (CH2) | 34.9 |
| 13 (C) | 134.2 |
| 14 (C) | 123.6 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 26.4 |
| 17 (C) | 31.4 |
| 18 (CH) | 42.7 |
| 19 (CH2) | 43 |
| 20 (C) | 31 |
| 21 (CH2) | 34.5 |
| 22 (CH2) | 36.5 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 15 |
| 25 (CH3) | 13.7 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 27 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 24 |
