Spektraris NMR
Tyromycic Acid E
Common Name: Tyromycic Acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-18(9-8-10-19(2)27(32)33)21-13-15-29(6)22-11-12-25-28(4,5)26(31)14-16-30(25,7)24(22)17-23(29)20(21)3/h10-11,17-18,21,23,25-26,31H,3,8-9,12-16H2,1-2,4-7H3,(H,32,33)/b19-10-/t18-,21?,23?,25+,26+,29+,30-/m1/s1
InChIKey: InChIKey=TVNHXADCBUCSOP-RFBUSYHYSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Quang, D.N., Hashimoto, T., Tanaka, M., Takaoka, S., Asakawa, Y. J Nat Prod (2004) 67, 148-51
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.1 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79.1 |
| 4 (C) | 38.8 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 23.2 |
| 7 (CH) | 114 |
| 8 (C) | 152.1 |
| 9 (C) | 153.3 |
| 10 (C) | 35.3 |
| 11 (CH) | 125.4 |
| 12 (CH) | 61.5 |
| 13 (C) | 149.3 |
| 14 (C) | 45.4 |
| 15 (CH2) | 36 |
| 16 (CH2) | 24.8 |
| 17 (CH) | 47.9 |
| 18 (CH2) | 113.8 |
| 19 (CH3) | 20.2 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 17.8 |
| 22 (CH2) | 33.7 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 146.6 |
| 25 (C) | 126.1 |
| 26 (C) | 173 |
| 27 (CH3) | 20.6 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.7 |
| 30 (CH3) | 27 |
