Spektraris NMR
Myrianthic acid
Common Name: Myrianthic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=YCOKATFNRPZIIU-MGBZEVKYSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Seto T., Tanaka T., Tanaka O., Naruhashi N. Phytochemistry (1984) 23, 2829
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) | 42.2 |
| 2 (CH) | 66.2 |
| 3 (CH) | 78.8 |
| 4 (C) | 42.2 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33.1 |
| 8 (C) | 40.5 |
| 9 (CH) | 47.7 |
| 10 (C) | 38.4 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 127.9 |
| 13 (C) | 139.9 |
| 14 (C) | 41.9 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 26.3 |
| 17 (C) | 48.2 |
| 18 (CH) | 54.6 |
| 19 (C) | 72.7 |
| 20 (CH) | 42.2 |
| 21 (CH2) | 26.9 |
| 22 (CH2) | 38.4 |
| 23 (CH2) | 71.2 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 24.7 |
| 28 (C) | 180.6 |
| 29 (CH3) | 26.9 |
| 30 (CH3) | 16.8 |
