Spektraris NMR
ZINC03870054
Common Name: ZINC03870054
Synonyms: ZINC03870054
CAS Registry Number:
InChI: InChI=1S/C30H50O/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/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29-,30+/m1/s1
InChIKey: InChIKey=CAHGCLMLTWQZNJ-HVKFUNKASA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Leong, Y.W., Harrison, L.J. Phytochemistry (1999) 50, 849-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.6 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 26.5 |
| 8 (C) | 134.4 |
| 9 (C) | 134.4 |
| 10 (C) | 37 |
| 11 (CH2) | 21 |
| 12 (CH2) | 30.9 |
| 13 (C) | 44.4 |
| 14 (C) | 49.8 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 36.2 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 24.9 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 24.2 |
