Spektraris NMR
Managenin II
Common Name: Managenin II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O2/c1-25(2)13-10-18-19(16-25)20-8-9-23-27(5)14-12-24(31)26(3,4)22(27)11-15-28(23,6)29(20,7)17-21(18)30/h8,22-24,31H,9-17H2,1-7H3/t22-,23+,24-,27-,28+,29+/m0/s1
InChIKey: InChIKey=YBMSCCGVVSSARE-WAJDCHDJSA-N
Formula: C29H44O2
Molecular Weight: 424.659544
Exact Mass: 424.334131
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rowan D.D., Newman R.H. Phytochemistry (1984) 23, 639
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) | 27.1 |
| 3 (CH) | 78.7 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33.4 |
| 8 (C) | 38.7 |
| 9 (CH) | 46.1 |
| 10 (C) | 36.8 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 126.8 |
| 13 (C) | 139.1 |
| 14 (C) | 44.9 |
| 15 (CH2) | 40.4 |
| 16 (C) | 200.4 |
| 17 (C) | 128.9 |
| 18 (C) | 146.8 |
| 19 (CH2) | 44.1 |
| 20 (C) | 29.2 |
| 21 (CH2) | 33.4 |
| 22 (CH2) | 20.6 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 28.1 |
| 29 (CH3) | 28.6 |
| 30 (CH3) | 23.1 |
