Spektraris NMR
Psoracinol
Common Name: Psoracinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20-12-15-27(5)16-17-29(7)21(25(20)27)10-11-22-28(6)14-9-13-26(3,4)23(28)18-24(31)30(22,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22+,23-,24-,25+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=COZWQKINLFNUFQ-UACPZPFXSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rasool N., Khanand A. Q., Malik. J Nat Prod (1989) 52, 749
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 40.4 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.7 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 77.3 |
| 8 (C) | 48.6 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 38.1 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43 |
| 18 (CH) | 48.3 |
| 19 (CH) | 47.9 |
| 20 (C) | 151 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 40.1 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 12.9 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.3 |
