Spektraris NMR
2-Epitormentic acid
Common Name: 2-Epitormentic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19+,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=OXVUXGFZHDKYLS-VCFAZYFWSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hattori M., Kuo K.P., Shu Y.Z., Tezuka Y., Kikuchi T., Namba T. Phytochemistry (1988) 27, 3975
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) | 46.3 |
| 2 (CH) | 73 |
| 3 (CH) | 80.5 |
| 4 (C) | 38.7 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 35.1 |
| 8 (C) | 40 |
| 9 (CH) | 43.8 |
| 10 (C) | 43.6 |
| 11 (CH2) | 25.7 |
| 12 (CH) | 130.4 |
| 13 (C) | 140.7 |
| 14 (C) | 42 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 27.5 |
| 17 (C) | 48 |
| 18 (CH) | 55.9 |
| 19 (C) | 74.4 |
| 20 (CH) | 43.8 |
| 21 (CH2) | 28.1 |
| 22 (CH2) | 39.8 |
| 23 (CH3) | 31.1 |
| 24 (CH3) | 18.4 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 25.7 |
| 28 (C) | 183 |
| 29 (CH3) | 27.9 |
| 30 (CH3) | 17.3 |
