Spektraris NMR
C30:4 Monocyclic highly branched isoprenoid
Common Name: C30:4 Monocyclic highly branched isoprenoid
Synonyms: C30:4 Monocyclic highly branched isoprenoid
CAS Registry Number:
InChI: InChI=1S/C30H52/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h10,17,22-23,25,28-29H,1,4,11-16,18-21H2,2-3,5-9H3/b26-17+
InChIKey: InChIKey=PLCJWBGFRGRJFS-YZSQISJMSA-N
Formula: C30H52
Molecular Weight: 412.734996
Exact Mass: 412.406902
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Masse, G., Belt, S.T., Rowland, S.J. Phytochemistry (2004) 65, 1101-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 22.8 |
| 2 (CH) | 28 |
| 3 (CH2) | 38.8 |
| 4 (CH2) | 25.9 |
| 5 (CH2) | 40.1 |
| 6 (C) | 135.2 |
| 7 (CH) | 124.1 |
| 8 (CH2) | 26.7 |
| 9 (CH2) | 37.9 |
| 10 (C) | 46.6 |
| 11 (CH2) | 42.6 |
| 12 (CH2) | 22.6 |
| 13 (CH2) | 38.1 |
| 14 (CH) | 37.9 |
| 15 (CH) | 145.1 |
| 16 (CH2) | 112.3 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 16 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 20.3 |
| 21 (CH) | 52.2 |
| 22 (CH) | 126 |
| 23 (C) | 136 |
| 24 (CH2) | 40.3 |
| 25 (CH2) | 28.8 |
| 26 (CH) | 51.9 |
| 27 (C) | 148.1 |
| 28 (CH3) | 20 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 16.7 |
