Spektraris NMR
Tillandsinone
Common Name: Tillandsinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O/c1-21(2)24(22(3)4)11-10-23(5)25-14-16-31(9)27-13-12-26-29(6,7)28(34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h22-27H,1,10-20H2,2-9H3/t23-,24-,25-,26+,27+,30-,31+,32-,33+/m1/s1
InChIKey: InChIKey=OOBHNVPLRWKOTJ-ZBKSDFMUSA-N
Formula: C33H54O1
Molecular Weight: 466.78249
Exact Mass: 466.417466
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cantillo-Ciau, Z., Brito-Loeza, W., Quijano, L. J Nat Prod (2001) 64, 953-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33.4 |
| 2 (CH2) | 37.5 |
| 3 (C) | 216.6 |
| 4 (C) | 50.3 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 28.1 |
| 8 (CH) | 47.9 |
| 9 (C) | 21.1 |
| 10 (C) | 25.9 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 32.8 |
| 13 (C) | 48.7 |
| 14 (C) | 45.3 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 36.7 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 34.5 |
| 23 (CH2) | 26.8 |
| 24 (CH) | 55.5 |
| 25 (C) | 147.4 |
| 26 (CH2) | 111.9 |
| 27 (CH3) | 19 |
| 28 (CH3) | 22.2 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 19.3 |
| 24a (CH) | 30.3 |
| 24aa (CH3) | 20.8 |
| 24ab (CH3) | 21.5 |
