Spektraris NMR
Longilene peroxide
Common Name: Longilene peroxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O8/c1-25(2,31)15-9-17-27(5,32)21-13-19-29(7,36-21)23-11-12-24(35-23)30(8)20-14-22(37-30)28(6,33)18-10-16-26(3,4)38-34/h9-10,15-16,21-24,31-34H,11-14,17-20H2,1-8H3/b15-9+,16-10+/t21-,22-,23-,24-,27+,28+,29+,30+/m1/s1
InChIKey: InChIKey=QLFRXAKUUDRERJ-BOWISWASSA-N
Formula: C30H52O8
Molecular Weight: 540.730236
Exact Mass: 540.366219
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) | 26.8 |
| 2 (C) | 81.1 |
| 3 (CH) | 137.1 |
| 4 (CH) | 125.9 |
| 5 (CH2) | 41.3 |
| 6 (C) | 73.9 |
| 7 (CH) | 85.5 |
| 8 (CH2) | 25.2 |
| 9 (CH2) | 29.9 |
| 10 (C) | 85.1 |
| 11 (CH) | 85.1 |
| 12 (CH2) | 29.4 |
| 13 (CH2) | 29.7 |
| 14 (CH) | 85.8 |
| 15 (C) | 85.6 |
| 16 (CH2) | 30.2 |
| 17 (CH2) | 25.8 |
| 18 (CH) | 84.1 |
| 19 (C) | 73.8 |
| 20 (CH2) | 40.9 |
| 21 (CH) | 122.3 |
| 22 (CH) | 141.2 |
| 23 (C) | 70.6 |
| 24 (CH3) | 29.6 |
| 25 (CH3) | 24.3 |
| 26 (CH3) | 24.3 |
| 27 (CH3) | 23.6 |
| 28 (CH3) | 24.3 |
| 29 (CH3) | 24.3 |
| 30 (CH3) | 29.8 |
