Spektraris NMR
Tyromycic Acid D
Common Name: Tyromycic Acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-13-16-29(6)21-11-12-23-27(3,4)24(31)14-15-28(23,5)22(21)17-25(32)30(20,29)7/h10-11,17-18,20,23,25,32H,8-9,12-16H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,23+,25-,28-,29+,30+/m1/s1
InChIKey: InChIKey=MUYQNDWZUCOTJV-RMYJVROOSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
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) | 36.5 |
| 2 (CH2) | 34.7 |
| 3 (C) | 216.4 |
| 4 (C) | 47.4 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 121.4 |
| 8 (C) | 141.6 |
| 9 (C) | 145.8 |
| 10 (C) | 37 |
| 11 (CH) | 122.1 |
| 12 (CH) | 74.5 |
| 13 (C) | 49 |
| 14 (C) | 51.3 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 26.3 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 9.9 |
| 19 (CH3) | 22 |
| 20 (CH) | 34.3 |
| 21 (CH3) | 20.5 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 27.5 |
| 24 (CH) | 146.9 |
| 25 (C) | 125.9 |
| 26 (CH3) | 20.5 |
| 27 (C) | 173.2 |
| 28 (CH3) | 25.3 |
| 29 (CH3) | 22.4 |
| 30 (CH3) | 25.2 |
