Spektraris NMR
Teurilene
Common Name: Teurilene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-21(2)11-9-17-27(5,31)23-15-19-29(7,34-23)25-13-14-26(33-25)30(8)20-16-24(35-30)28(6,32)18-10-12-22(3)4/h11-12,23-26,31-32H,9-10,13-20H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+
InChIKey: InChIKey=LICDBSWLYVFNPL-DSIUGFRJSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morita, H., Kishi, E., Takeya, K., Itokawa, H., Iitaka, Y. Phytochemistry (1993) 34, 765-71
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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 (CH3) | 17.6 |
| 2 (C) | 130.9 |
| 3 (CH) | 125 |
| 4 (CH2) | 22.3 |
| 5 (CH2) | 38.6 |
| 6 (C) | 73 |
| 7 (CH) | 84.3 |
| 8 (CH2) | 25.3 |
| 9 (CH2) | 30.6 |
| 10 (C) | 85.3 |
| 11 (CH) | 85.1 |
| 12 (CH2) | 29.4 |
| 13 (CH2) | 29.4 |
| 14 (CH) | 85.1 |
| 15 (C) | 85.3 |
| 16 (CH2) | 30.6 |
| 17 (CH2) | 25.3 |
| 18 (CH) | 84.3 |
| 19 (C) | 73 |
| 20 (CH2) | 38.6 |
| 21 (CH2) | 22.3 |
| 22 (CH) | 125 |
| 23 (C) | 130.9 |
| 24 (CH3) | 25.6 |
| 25 (CH3) | 25.6 |
| 26 (CH3) | 24.2 |
| 27 (CH3) | 23.4 |
| 28 (CH3) | 23.4 |
| 29 (CH3) | 24.2 |
| 30 (CH3) | 17.6 |
