Common Name: lupeol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=MQYXUWHLBZFQQO-QGTGJCAVSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reynolds W. F., McLean S., Poplawski J., Eniquez R. G., Escobar L. I., Leon I. Tetrahedron (1986) 42, 3419
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)
Position | PPM |
---|---|
1 (CH2) | 38.7 |
2 (CH2) | 27.4 |
3 (CH) | 78.9 |
4 (C) | 38.8 |
5 (CH) | 55.3 |
6 (CH2) | 18.3 |
7 (CH2) | 34.2 |
8 (C) | 40.8 |
9 (CH) | 50.4 |
10 (C) | 37.1 |
11 (CH2) | 20.9 |
12 (CH2) | 25.1 |
13 (CH) | 38 |
14 (C) | 42.8 |
15 (CH2) | 27.4 |
16 (CH2) | 35.5 |
17 (C) | 43 |
18 (CH) | 48.2 |
19 (CH) | 47.9 |
20 (C) | 150.9 |
21 (CH2) | 29.8 |
22 (CH2) | 40 |
23 (CH3) | 28 |
24 (CH3) | 15.4 |
25 (CH3) | 16.1 |
26 (CH3) | 15.9 |
27 (CH3) | 14.5 |
28 (CH3) | 18 |
29 (CH2) | 109.3 |
30 (CH3) | 19.3 |