Spektraris NMR
methyl 2,3-diacetyl Mormentate
Common Name: methyl 2,3-diacetyl Mormentate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O7/c1-20-13-16-35(29(38)40-10)18-17-32(7)23(27(35)34(20,9)39)11-12-26-31(6)19-24(41-21(2)36)28(42-22(3)37)30(4,5)25(31)14-15-33(26,32)8/h11,20,24-28,39H,12-19H2,1-10H3/t20-,24-,25+,26-,27-,28+,31+,32-,33-,34-,35+/m1/s1
InChIKey: InChIKey=YGBIXFIIAJCOLF-GLAPRGLFSA-N
Formula: C35H54O7
Molecular Weight: 586.800392
Exact Mass: 586.386954
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lontsi, D., Sondengam, B.L., Martin, M.T., Bodo, B. Phytochemistry (1998) 48, 171-4
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) | 43.87 |
| 2 (CH) | 70.05 |
| 3 (CH) | 80.61 |
| 4 (C) | 39.31 |
| 5 (CH) | 54.75 |
| 6 (CH2) | 18.26 |
| 7 (CH2) | 32.48 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.06 |
| 10 (C) | 38.02 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 128.64 |
| 13 (C) | 138.18 |
| 14 (C) | 41.14 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 25.38 |
| 17 (C) | 47.81 |
| 18 (CH) | 53.13 |
| 19 (C) | 73.1 |
| 20 (CH) | 41.07 |
| 21 (CH2) | 25.96 |
| 22 (CH2) | 37.33 |
| 23 (CH3) | 28.38 |
| 24 (CH3) | 17.6 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.54 |
| 27 (CH3) | 24.41 |
| 28 (C) | 178.3 |
| 29 (CH3) | 27.37 |
| 30 (CH3) | 16.1 |
| 2a (C) | 170.87 |
| 2b (CH3) | 21.13 |
| 3a (C) | 176.66 |
| 3b (CH3) | 20.91 |
| 28a (CH3) | 51.6 |
