Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O4/c1-20(9-12-26(28(5,6)35)36-21(2)33)22-13-15-30(8)24-11-10-23-27(3,4)25(34)14-16-31(23)19-32(24,31)18-17-29(22,30)7/h20,22-26,34-35H,9-19H2,1-8H3/t20-,22+,23+,24+,25+,26-,29-,30+,31-,32+/m1/s1
InChIKey: InChIKey=HPQKOKRQWLFMFP-KPJZHSJGSA-N
Formula: C32H54O4
Molecular Weight: 502.769969
Exact Mass: 502.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hisham, A., Bai, A., JayaKumar, G., Nair, M.S., Fujimoto, Y. Phytochemistry (2001) 56, 331-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32 |
2 (CH2) | 30.4 |
3 (CH) | 78.8 |
4 (C) | 40.1 |
5 (CH) | 47.1 |
6 (CH2) | 21.1 |
7 (CH2) | 27.9 |
8 (CH) | 48 |
9 (C) | 20 |
10 (C) | 26 |
11 (CH2) | 26 |
12 (CH2) | 35.5 |
13 (C) | 45.3 |
14 (C) | 48.8 |
15 (CH2) | 32.9 |
16 (CH2) | 26.4 |
17 (CH) | 52.1 |
18 (CH3) | 18 |
19 (CH2) | 30 |
20 (CH) | 36.3 |
21 (CH3) | 18.4 |
22 (CH2) | 32.7 |
23 (CH2) | 26.4 |
24 (CH) | 80.9 |
25 (C) | 72.5 |
26 (CH3) | 25 |
27 (CH3) | 26.8 |
28 (CH3) | 25.4 |
29 (CH3) | 14 |
30 (CH3) | 19.3 |
24a (C) | 171.3 |
24b (CH3) | 21.1 |