Spektraris NMR
Tirucalla-7,23,25-triene-3beta-ol
Common Name: Tirucalla-7,23,25-triene-3beta-ol
Synonyms: Tirucalla-7,23,25-triene-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h9-10,12,21-23,25-26,31H,1,11,13-19H2,2-8H3/b10-9+/t21-,22-,23-,25-,26-,28+,29-,30+/m0/s1
InChIKey: InChIKey=KNPRYWISQCDFJD-VEJHHWJWSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, H., Heilmann, J., Rali, T., Sticher, O. J Nat Prod (2001) 64, 159-63
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 37.2 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 79.2 |
| 4 (C) | 39 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 117.9 |
| 8 (C) | 145.7 |
| 9 (CH) | 48.9 |
| 10 (C) | 34.9 |
| 11 (CH2) | 18.2 |
| 12 (CH2) | 33.8 |
| 13 (C) | 43.6 |
| 14 (C) | 51.3 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 53.2 |
| 18 (CH3) | 22.2 |
| 19 (CH3) | 13.1 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 19 |
| 22 (CH2) | 38.6 |
| 23 (CH) | 129.9 |
| 24 (CH) | 133.8 |
| 25 (C) | 142.2 |
| 26 (CH2) | 114 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 14.7 |
| 30 (CH3) | 27.3 |
