Spektraris NMR
Momordicoside O
Common Name: Momordicoside O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O15/c1-19(2)16-22(53-35-33(50)31(48)29(46)23(17-43)54-35)28(45)20(3)21-10-12-40(7)25-11-13-42-26(41(25,37(52)57-42)15-14-39(21,40)6)8-9-27(38(42,4)5)56-36-34(51)32(49)30(47)24(18-44)55-36/h11,13,16,20-37,43-52H,8-10,12,14-15,17-18H2,1-7H3/t20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35+,36-,37?,39+,40-,41-,42+/m0/s1
InChIKey: InChIKey=YBUHKMAFVUJFCY-JBJTYOOQSA-N
Formula: C42H68O15
Molecular Weight: 812.981953
Exact Mass: 812.455822
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, Q.Y., Chen, H.B., Liu, Z.M., Wang, B., Zhao, Y.Y. Magn Reson Chem (2007) 45, 451-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 18.9 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 84.9 |
| 4 (C) | 39 |
| 5 (C) | 84.4 |
| 6 (CH) | 134.1 |
| 7 (CH) | 131.4 |
| 8 (CH) | 41.8 |
| 9 (C) | 45.6 |
| 10 (CH) | 41.8 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 31.2 |
| 13 (C) | 48 |
| 14 (C) | 48.2 |
| 15 (CH2) | 34.2 |
| 16 (CH2) | 28 |
| 17 (CH) | 46.8 |
| 18 (CH3) | 14.3 |
| 19 (CH) | 105.1 |
| 20 (CH) | 40.8 |
| 21 (CH3) | 14.7 |
| 22 (CH) | 76.6 |
| 23 (CH) | 81.3 |
| 24 (CH) | 124.7 |
| 25 (C) | 135.3 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 25 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 20 |
| 1' (CH) | 103.6 |
| 2' (CH) | 73.4 |
| 3' (CH) | 72.3 |
| 4' (CH) | 69.2 |
| 5' (CH) | 76.2 |
| 6' (CH2) | 63 |
| 1'' (CH) | 103.8 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 73.4 |
| 4'' (CH) | 69 |
| 5'' (CH) | 76.1 |
| 6'' (CH2) | 63.2 |
