Spektraris NMR
Cimiracemosides I
Common Name: Cimiracemosides I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H52O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h8,18-21,23-28,36-38H,7,9-17H2,1-6H3/t18-,19-,20+,21+,23+,24?,25+,26-,27+,28+,30-,31+,32+,33-,34+,35?/m1/s1
InChIKey: InChIKey=FZLZHFMMPIVMNA-AOGBEBNTSA-N
Formula: C35H52O8
Molecular Weight: 600.783915
Exact Mass: 600.366219
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) | 30.9 |
| 2 (CH2) | 29.6 |
| 3 (CH) | 88.1 |
| 4 (C) | 40.4 |
| 5 (CH) | 42.7 |
| 6 (CH2) | 21.8 |
| 7 (CH) | 113.5 |
| 8 (C) | 149.2 |
| 9 (C) | 21 |
| 10 (C) | 23.7 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 32.9 |
| 13 (C) | 44.1 |
| 14 (C) | 49.8 |
| 15 (CH2) | 43 |
| 16 (CH) | 74.9 |
| 17 (CH) | 56.9 |
| 18 (CH3) | 22.9 |
| 19 (CH2) | 28.3 |
| 20 (CH) | 23.7 |
| 21 (CH3) | 20.8 |
| 22 (CH2) | 37.5 |
| 23 (C) | 106.2 |
| 24 (CH) | 62.6 |
| 25 (C) | 62.1 |
| 26 (CH2) | 68 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 26.9 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 14.3 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.2 |
