Spektraris NMR
Cimiracemosides J
Common Name: Cimiracemosides J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O10/c1-17(2)28-20-13-18(3)29-34(8)25(43-19(4)39)14-36-16-35(36)12-11-24(45-30-27(41)26(40)21(15-38)44-30)32(5,6)22(35)9-10-23(36)33(34,7)31(42)37(29,46-20)47-28/h18,20-31,38,40-42H,1,9-16H2,2-8H3/t18-,20-,21+,22+,23+,24+,25-,26+,27-,28+,29+,30-,31-,33-,34-,35-,36+,37+/m1/s1
InChIKey: InChIKey=KDPNLVZGXBQDBF-KCRWJWPESA-N
Formula: C37H56O10
Molecular Weight: 660.83596
Exact Mass: 660.387348
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) | 32.4 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 88.3 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 26 |
| 8 (CH) | 47.2 |
| 9 (C) | 20.1 |
| 10 (C) | 26.8 |
| 11 (CH2) | 38.5 |
| 12 (CH) | 77.3 |
| 13 (C) | 48.4 |
| 14 (C) | 46.1 |
| 15 (CH) | 79.3 |
| 16 (C) | 112.3 |
| 17 (CH) | 59.6 |
| 18 (CH3) | 12.7 |
| 19 (CH2) | 30.9 |
| 20 (CH) | 23.9 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 37.5 |
| 23 (CH) | 74.7 |
| 24 (CH) | 86.5 |
| 25 (C) | 145.8 |
| 26 (CH2) | 113.2 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 12 |
| 30 (CH3) | 15.4 |
| 1' (CH) | 107.4 |
| 2' (CH) | 73 |
| 3' (CH) | 74.7 |
| 4' (CH) | 69.5 |
| 5' (CH2) | 66.7 |
| 12a (C) | 170.6 |
| 12b (CH3) | 21.7 |
