Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O4/c1-19(2)16-20-17-30(8,33)25-21-10-11-23-27(5)14-13-24(32)26(3,4)22(27)12-15-28(23,6)29(21,7)18-31(25,34-9)35-20/h16,20-25,32-33H,10-15,17-18H2,1-9H3/t20?,21-,22+,23-,24+,25?,27+,28-,29-,30+,31+/m1/s1
InChIKey: InChIKey=BUJPZGIOSHQMID-DBPAGBJHSA-N
Formula: C31H52O4
Molecular Weight: 488.743352
Exact Mass: 488.38656
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Brandao, M.G.L., Lacailledubois, M.A., Teixeira, M.A., Wagner, H. Phytochemistry (1993) 34, 1123-7
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) | 38.5 |
2 (CH2) | 27.9 |
3 (CH) | 78 |
4 (C) | 39.5 |
5 (CH) | 56 |
6 (CH2) | 18.4 |
7 (CH2) | 36.1 |
8 (C) | 37.6 |
9 (CH) | 53 |
10 (C) | 37.6 |
11 (CH2) | 21.7 |
12 (CH2) | 28.6 |
13 (CH) | 37 |
14 (C) | 53.7 |
15 (CH2) | 37 |
16 (C) | 110.6 |
17 (CH) | 53.9 |
18 (CH3) | 65.9 |
19 (CH3) | 16.3 |
20 (C) | 68.6 |
21 (CH3) | 30 |
22 (CH2) | 45.2 |
23 (CH) | 68.7 |
24 (CH) | 126.8 |
25 (C) | 134.3 |
26 (CH3) | 25.8 |
27 (CH3) | 18.8 |
28 (CH3) | 28.6 |
29 (CH3) | 16.3 |
30 (CH3) | 18.4 |