Spektraris NMR
Cimiracemosides P
Common Name: Cimiracemosides P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-29,39-41H,8-16H2,1-7H3/t17-,19-,20?,21+,22+,23+,24-,25-,26+,27-,28+,29-,32+,33-,34+,35-,36+,37-/m1/s1
InChIKey: InChIKey=KRKLOCQWMFXIPR-XAXXBECSSA-N
Formula: C37H54O11
Molecular Weight: 674.819483
Exact Mass: 674.366613
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) | 29.9 |
| 3 (CH) | 88.1 |
| 4 (C) | 41.2 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 47 |
| 9 (C) | 20.1 |
| 10 (C) | 26.8 |
| 11 (CH2) | 36.6 |
| 12 (CH) | 76.8 |
| 13 (C) | 48.8 |
| 14 (C) | 48 |
| 15 (CH2) | 43.2 |
| 16 (CH) | 75.6 |
| 17 (CH) | 55.6 |
| 18 (CH3) | 13.5 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 25.3 |
| 21 (CH3) | 20.7 |
| 22 (CH2) | 35.6 |
| 23 (C) | 106.2 |
| 24 (CH) | 62.7 |
| 25 (C) | 58.6 |
| 26 (C) | 172.4 |
| 27 (CH3) | 11.1 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 19.5 |
| 30 (CH3) | 15.3 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.2 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.6 |
