Spektraris NMR
Cimiracemosides M
Common Name: Cimiracemosides M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H60O11/c1-19(16-22(47-20(2)40)32-35(6,7)50-32)27-29(43)31(45)37(9)25-11-10-24-34(4,5)26(12-13-38(24)18-39(25,38)15-14-36(27,37)8)49-33-30(44)28(42)23(17-46-33)48-21(3)41/h19,22-28,30-33,42,44-45H,10-18H2,1-9H3/t19-,22+,23-,24+,25+,26+,27-,28+,30-,31+,32+,33+,36-,37-,38-,39+/m1/s1
InChIKey: InChIKey=MRJOSYQMJVDQDS-MSJXMNJMSA-N
Formula: C39H60O11
Molecular Weight: 704.888599
Exact Mass: 704.413563
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, S.N., Fabricant, D.S., Lu, Z.Z., Fong, H.H., Farnsworth, N.R. J Nat Prod (2002) 65, 1391-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.2 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.5 |
| 4 (C) | 41.4 |
| 5 (CH) | 47.4 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 26.4 |
| 8 (CH) | 48.3 |
| 9 (C) | 20.1 |
| 10 (C) | 26.8 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 33.1 |
| 13 (C) | 41.6 |
| 14 (C) | 46.1 |
| 15 (CH) | 83 |
| 16 (C) | 220 |
| 17 (CH) | 60 |
| 18 (CH3) | 19.8 |
| 19 (CH2) | 30 |
| 20 (CH) | 28 |
| 21 (CH3) | 20.4 |
| 22 (CH2) | 37 |
| 23 (CH) | 72.1 |
| 24 (CH) | 65.2 |
| 25 (C) | 58.6 |
| 26 (CH3) | 24.7 |
| 27 (CH3) | 19.4 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 12 |
| 30 (CH3) | 15.4 |
| 1' (CH) | 107.4 |
| 2' (CH) | 75 |
| 3' (CH) | 75.8 |
| 4' (CH) | 73.2 |
| 5' (CH2) | 63.2 |
| 22a (C) | 170.5 |
| 22b (CH3) | 20.9 |
| 4'a (C) | 170.5 |
| 4'b (CH3) | 21 |
