Spektraris NMR
Alnincanone
Common Name: Alnincanone
Synonyms: Alnincanone
CAS Registry Number:
InChI: InChI=1S/C31H52O2/c1-20(2)30(8)18-19-31(9,33-30)22-12-16-28(6)21(22)10-11-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-24H,10-19H2,1-9H3/t21-,22+,23+,24-,27+,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=LHPJBVHIHBSBRD-JQYZYYRZSA-N
Formula: C31H52O2
Molecular Weight: 456.744542
Exact Mass: 456.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Andradeneto, M., Silveira, E.R., Brazfilho, R., Gambardela, M.T.P., Santos, R.H.A. Phytochemistry (1994) 35, 739-43
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.9 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.1 |
| 4 (C) | 47.4 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 34.6 |
| 8 (C) | 40.2 |
| 9 (CH) | 50 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22 |
| 12 (CH2) | 25.5 |
| 13 (CH) | 43.3 |
| 14 (C) | 50 |
| 15 (CH2) | 31 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 50 |
| 18 (CH3) | 21 |
| 19 (CH3) | 16.1 |
| 20 (C) | 85.7 |
| 21 (CH3) | 25.1 |
| 22 (CH2) | 37.2 |
| 23 (CH2) | 36 |
| 24 (C) | 85.2 |
| 25 (CH) | 38 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 21 |
| 30 (CH3) | 15.2 |
| 24a (CH3) | 23 |
