Spektraris NMR
Tyromycic Acid C
Common Name: Tyromycic Acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)22-14-17-31(7)23-12-13-25-29(4,5)26(34)15-16-30(25,6)24(23)18-27(32(22,31)8)37-21(3)33/h11-12,18-19,22,25-27,34H,9-10,13-17H2,1-8H3,(H,35,36)/b20-11-/t19-,22-,25+,26+,27-,30-,31+,32+/m1/s1
InChIKey: InChIKey=LMRPISCHWOHHOB-QCSIBCATSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
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) | 32.6 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 76.5 |
| 4 (C) | 38.4 |
| 5 (CH) | 44.2 |
| 6 (CH2) | 24 |
| 7 (CH) | 124 |
| 8 (C) | 142.3 |
| 9 (C) | 149.9 |
| 10 (C) | 38.4 |
| 11 (CH) | 118 |
| 12 (CH) | 79.4 |
| 13 (C) | 49 |
| 14 (C) | 52.9 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27 |
| 17 (CH) | 52.5 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 21.7 |
| 20 (CH) | 35.5 |
| 21 (CH3) | 20.8 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 28.3 |
| 24 (CH) | 143.5 |
| 25 (C) | 128.9 |
| 26 (CH3) | 21.1 |
| 27 (C) | 171 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 23.3 |
| 30 (CH3) | 25.9 |
| 12a (C) | 172.9 |
| 12b (CH3) | 21.7 |
