Spektraris NMR
Bis(dimethylcarbamic acid)19beta-methyl-30-noroleana-12-ene-3beta,28-diyl ester
Common Name: Bis(dimethylcarbamic acid)19beta-methyl-30-noroleana-12-ene-3beta,28-diyl ester
Synonyms: Bis(dimethylcarbamic acid)19beta-methyl-30-noroleana-12-ene-3beta,28-diyl ester
CAS Registry Number:
InChI: InChI=1S/C36H60N2O4/c1-23-14-19-36(22-41-30(39)37(8)9)21-20-34(6)25(29(36)24(23)2)12-13-27-33(5)17-16-28(42-31(40)38(10)11)32(3,4)26(33)15-18-35(27,34)7/h12,23-24,26-29H,13-22H2,1-11H3/t23-,24+,26+,27-,28+,29+,33+,34-,35-,36-/m1/s1
InChIKey: InChIKey=PGCFKASTVWYVFP-XAUDORCRSA-N
Formula: C36H60N2O4
Molecular Weight: 584.874043
Exact Mass: 584.455308
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collins, D.O., Ruddock, P.L., Chiverton de Grasse, J., Reynolds, W.F., Reese, P.B. Phytochemistry (2002) 59, 479-88
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) | 38.7 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 81.8 |
| 4 (C) | 38 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.7 |
| 8 (C) | 40 |
| 9 (CH) | 47.5 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.5 |
| 12 (CH) | 125.4 |
| 13 (C) | 138.1 |
| 14 (C) | 41.9 |
| 15 (CH2) | 24.1 |
| 16 (CH2) | 23.4 |
| 17 (C) | 37.2 |
| 18 (CH) | 54.4 |
| 19 (CH) | 39.4 |
| 20 (CH) | 39.2 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 35.8 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 17.3 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 23.3 |
| 28 (CH2) | 72.1 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 21.3 |
| 3a (C) | 156.7 |
| 3aa (CH3) | 35.8 |
| 3ab (CH3) | 35.8 |
| 28a (C) | 156.9 |
| 28aa (CH3) | 36.3 |
| 28ab (CH3) | 36.3 |
