Spektraris NMR
Munronin G
Common Name: Munronin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H46O12/c1-9-16(2)24(45-17(3)37)31(42)47-26-28-33(6)22(40)13-21(39)32(5)15-44-25(27(32)33)29(41)35(28,8)36-23(48-36)12-20(19-10-11-43-14-19)34(36,7)30(26)46-18(4)38/h10-11,14,16,20,22-28,30,40H,9,12-13,15H2,1-8H3/t16?,20-,22+,23+,24?,25+,26+,27-,28+,30+,32+,33-,34+,35-,36+/m0/s1
InChIKey: InChIKey=KLYFHJSGAHSZHY-VVRQQLTNSA-N
Formula: C36H46O12
Molecular Weight: 670.744626
Exact Mass: 670.298927
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cai, X.H., Luo, X.D. Chin J Chem (2007) 25, 986-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 72 |
| 2 (CH2) | 46.9 |
| 3 (C) | 212.3 |
| 4 (C) | 54.4 |
| 5 (CH) | 53.9 |
| 6 (CH) | 83.1 |
| 7 (C) | 204.6 |
| 8 (C) | 50 |
| 9 (CH) | 42.2 |
| 10 (C) | 38 |
| 11 (CH) | 75.2 |
| 12 (CH) | 80.5 |
| 13 (C) | 45 |
| 14 (C) | 68 |
| 15 (CH) | 55.5 |
| 16 (CH2) | 32.1 |
| 17 (CH) | 42.2 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 17.3 |
| 20 (C) | 111.2 |
| 21 (CH) | 140.3 |
| 22 (CH) | 122.2 |
| 23 (CH) | 142.6 |
| 28 (CH2) | 77 |
| 29 (CH3) | 25.4 |
| 30 (CH3) | 20 |
| 11a (C) | 169 |
| 11b (CH) | 76.5 |
| 11c (CH) | 36.6 |
| 11d (CH2) | 24.7 |
| 11e (CH3) | 11.7 |
| 11ba (C) | 169.5 |
| 11bb (CH3) | 20.6 |
| 11ca (CH3) | 15.3 |
| 12a (C) | 170.8 |
| 12b (CH3) | 20.9 |
