Spektraris NMR
Leucotylin-6,16-diacetate
Common Name: Leucotylin-6,16-diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O5/c1-20(35)38-23-18-33(9)25(31(7)17-14-22(27(23)31)30(5,6)37)12-13-26-32(8)16-11-15-29(3,4)28(32)24(39-21(2)36)19-34(26,33)10/h22-28,37H,11-19H2,1-10H3/t22-,23-,24-,25+,26+,27+,28-,31+,32+,33+,34+/m0/s1
InChIKey: InChIKey=RPKCITIBMZPVBD-VQAWAFHESA-N
Formula: C34H56O5
Molecular Weight: 544.806727
Exact Mass: 544.412775
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Elix J.A., Whitton A.A., Jones A.J. Aust J Chem (1982) 35, 641-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.2 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 43.4 |
| 4 (C) | 33.2 |
| 5 (CH) | 58.3 |
| 6 (CH) | 73.3 |
| 7 (CH2) | 40.8 |
| 8 (C) | 42.8 |
| 9 (CH) | 49.2 |
| 10 (C) | 39.5 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 23.4 |
| 13 (CH) | 48.6 |
| 14 (C) | 44.1 |
| 15 (CH2) | 41.1 |
| 16 (CH) | 71.8 |
| 17 (CH) | 56.9 |
| 18 (C) | 46.7 |
| 19 (CH2) | 41.5 |
| 20 (CH2) | 27.8 |
| 21 (CH) | 51.8 |
| 22 (C) | 73.1 |
| 23 (CH3) | 36.3 |
| 24 (CH3) | 22.1 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 18.1 |
| 29 (CH3) | 27.4 |
| 30 (CH3) | 30.4 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.7 |
| 16a (C) | 170.5 |
| 16b (CH3) | 22.1 |
