Spektraris NMR
Martiriol
Common Name: Martiriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O7/c1-25(2,33)20(31)12-17-27(5)15-9-16-29(7,37-27)24-11-10-22-28(6,35-24)19-14-23(34-22)30(8)18-13-21(32)26(3,4)36-30/h9,14-15,20-22,24,31-33H,10-13,16-19H2,1-8H3/t20-,21-,22-,24-,27+,28+,29+,30+/m1/s1
InChIKey: InChIKey=BWOMRSOXEVNIRW-AHAJQMICSA-N
Formula: C30H50O7
Molecular Weight: 522.714949
Exact Mass: 522.355654
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Manriquez, C.P., Souto, M.L., Gavin, J.A., Norte, M., Fernandez, J.J. Tetrahedron (2001) 57, 3117-23
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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 (CH3) | 29.7 |
| 2 (C) | 85.7 |
| 3 (CH) | 82.8 |
| 4 (CH2) | 28.1 |
| 5 (CH2) | 35 |
| 6 (C) | 85.2 |
| 7 (C) | 170.5 |
| 8 (CH) | 98.8 |
| 9 (CH2) | 35.2 |
| 10 (C) | 85.9 |
| 11 (CH) | 84.5 |
| 12 (CH2) | 21.2 |
| 13 (CH2) | 29.1 |
| 14 (CH) | 85.7 |
| 15 (C) | 73.8 |
| 16 (CH2) | 41.5 |
| 17 (CH) | 122.2 |
| 18 (CH) | 141.1 |
| 19 (C) | 70.6 |
| 20 (CH2) | 31.4 |
| 21 (CH2) | 25.8 |
| 22 (CH) | 84.3 |
| 23 (C) | 70.6 |
| 24 (CH3) | 24 |
| 25 (CH3) | 24.9 |
| 26 (CH3) | 21.2 |
| 27 (CH3) | 29.8 |
| 28 (CH3) | 24.8 |
| 29 (CH3) | 29.7 |
| 30 (CH3) | 28 |
