lupeol

lupeol

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)

Carbon NMR Peaks

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