Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O2/c1-21(2)22-12-15-31(8)25(29(22,6)14-13-26(32)33-9)11-10-23-24-20-27(3,4)16-17-28(24,5)18-19-30(23,31)7/h20,22-23,25H,1,10-19H2,2-9H3/t22-,23+,25+,28+,29-,30+,31+/m0/s1
InChIKey: InChIKey=KODNFBDAUXMOMM-GKOCVVNQSA-N
Formula: C31H50O2
Molecular Weight: 454.72866
Exact Mass: 454.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Ida, T., Takaoka, Y., Kita, S., Kamisako, W., Matsunaga, S. Phytochemistry (1994) 36, 129-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 34.3 |
2 (CH2) | 26.2 |
3 (C) | 174.6 |
4 (C) | 147.6 |
5 (CH) | 50.4 |
6 (CH2) | 28.5 |
7 (CH2) | 33.1 |
8 (C) | 40.4 |
9 (CH) | 41.3 |
10 (C) | 39.4 |
11 (CH2) | 21.7 |
12 (CH2) | 24.6 |
13 (CH) | 38.6 |
14 (C) | 43.7 |
15 (CH2) | 27.5 |
16 (CH2) | 31.7 |
17 (C) | 34.3 |
18 (C) | 142.7 |
19 (CH) | 129.9 |
20 (C) | 32.4 |
21 (CH2) | 33.4 |
22 (CH2) | 37.3 |
23 (CH2) | 113.5 |
24 (CH3) | 23.3 |
25 (CH3) | 20.7 |
26 (CH3) | 16.3 |
27 (CH3) | 14.6 |
28 (CH3) | 25.3 |
29 (CH3) | 31.4 |
30 (CH3) | 29.2 |
3a (CH3) | 51.6 |