Spektraris NMR
Mateside
Common Name: Mateside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-19-9-14-35(29(40)41)16-15-32(4)20(27(35)34(19,6)42)7-8-23-30(2)12-11-24(44-28-26(39)25(38)21(37)17-43-28)31(3,18-36)22(30)10-13-33(23,32)5/h7,19,21-28,36-39,42H,8-18H2,1-6H3,(H,40,41)/t19-,21-,22-,23-,24+,25-,26+,27-,28+,30+,31+,32-,33-,34-,35+/m1/s1
InChIKey: InChIKey=BHSUFIXFUOVBAB-MDDYVTOGSA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Taketa, A.T.C., Breitmaier, E., Schenkel, E.P. J Braz Chem Soc (2004) 15, 205-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 39 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 82.1 |
| 4 (C) | 43.7 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.5 |
| 9 (CH) | 48 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 128.1 |
| 13 (C) | 140.2 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 26.6 |
| 17 (C) | 48.5 |
| 18 (CH) | 54.8 |
| 19 (C) | 72.8 |
| 20 (CH) | 42.5 |
| 21 (CH2) | 27.1 |
| 22 (CH2) | 38.7 |
| 23 (CH2) | 64.6 |
| 24 (CH3) | 13.7 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 24.8 |
| 28 (C) | 181 |
| 29 (CH3) | 27.3 |
| 30 (CH3) | 17 |
| 1' (CH) | 106.9 |
| 2' (CH) | 73.3 |
| 3' (CH) | 74.9 |
| 4' (CH) | 69.8 |
| 5' (CH2) | 67.2 |
