Spektraris NMR
Cimiracemosides N
Common Name: Cimiracemosides N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-42-37)46-20-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)21(15-38)44-29)10-11-35(22)16-36(23,35)14-25(43-19(2)39)34(32,7)26(18)20/h18,20-30,38,40-41H,8-17H2,1-7H3/t18-,20+,21+,22+,23+,24+,25-,26?,27+,28-,29-,30+,32+,33+,34-,35-,36+,37?/m1/s1
InChIKey: InChIKey=GCNLXJWWTADDJP-LDBOBDTOSA-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) | 31.9 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 88.1 |
| 4 (C) | 41.2 |
| 5 (CH) | 47 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 25.6 |
| 8 (CH) | 45.6 |
| 9 (C) | 20.1 |
| 10 (C) | 26.7 |
| 11 (CH2) | 36.6 |
| 12 (CH) | 77.1 |
| 13 (C) | 48.8 |
| 14 (C) | 47.8 |
| 15 (CH2) | 44.1 |
| 16 (CH) | 74.7 |
| 17 (CH) | 56.2 |
| 18 (CH3) | 13.5 |
| 19 (CH2) | 29.5 |
| 20 (CH) | 23.3 |
| 21 (CH3) | 21.3 |
| 22 (CH2) | 37.5 |
| 23 (C) | 105.9 |
| 24 (CH) | 62.5 |
| 25 (C) | 62.2 |
| 26 (CH2) | 68.1 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 15.3 |
| 1' (CH) | 107.5 |
| 2' (CH) | 72.9 |
| 3' (CH) | 74.5 |
| 4' (CH) | 69.6 |
| 5' (CH2) | 66.8 |
| 12a (C) | 170.7 |
| 12b (CH3) | 21.7 |
