Common Name: beta-Alnincanol
Synonyms: beta-Alnincanol
CAS Registry Number:
InChI: InChI=1S/C31H54O2/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/h20-25,32H,10-19H2,1-9H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=QBFARSIDDQYXHO-OCHYYCGISA-N
Formula: C31H54O2
Molecular Weight: 458.760423
Exact Mass: 458.412381
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)
Position | PPM |
---|---|
1 (CH2) | 39.1 |
2 (CH2) | 27.5 |
3 (CH) | 79 |
4 (C) | 39 |
5 (CH) | 55.9 |
6 (CH2) | 18.3 |
7 (CH2) | 35.3 |
8 (C) | 40.4 |
9 (CH) | 50.7 |
10 (C) | 37.2 |
11 (CH2) | 21.5 |
12 (CH2) | 25.6 |
13 (CH) | 43.2 |
14 (C) | 50.1 |
15 (CH2) | 31.1 |
16 (CH2) | 26.9 |
17 (CH) | 50.5 |
18 (CH3) | 16.4 |
19 (CH3) | 16.2 |
20 (C) | 85.8 |
21 (CH3) | 25 |
22 (CH2) | 37.2 |
23 (CH2) | 36.1 |
24 (C) | 85.2 |
25 (CH) | 38.1 |
26 (CH3) | 17.6 |
27 (CH3) | 18.8 |
28 (CH3) | 28 |
29 (CH3) | 15.4 |
30 (CH3) | 15.5 |
31 (CH3) | 23 |