Common Name: xyloccensin T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O14/c1-14(34)42-18-11-32-29(5)22(21(37)26(38)40-7)27(3)13-31(29,39)20(24(27)43-15(2)35)25-33(32,47-30(6,45-25)46-32)17-10-19(36)44-23(28(17,18)4)16-8-9-41-12-16/h8-10,12,18,20-25,37,39H,11,13H2,1-7H3/t18-,20+,21+,22-,23-,24+,25+,27-,28-,29+,30?,31-,32-,33+/m1/s1
InChIKey: InChIKey=YDVNUBTYKJEBMX-YSKYFHNWSA-N
Formula: C33H38O14
Molecular Weight: 658.647702
Exact Mass: 658.226156
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wu, J., Xiao, Q., Zhang, S., Li, X., Xiao, Z., Ding, H., Li, Q. Tetrahedron (2005) 61, 8382-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 82.7 |
2 (CH) | 45.8 |
3 (CH) | 78.8 |
4 (C) | 46.8 |
5 (CH) | 46.5 |
6 (CH) | 71.3 |
7 (C) | 177 |
8 (C) | 82.9 |
9 (C) | 88 |
10 (C) | 49.5 |
11 (CH2) | 33.1 |
12 (CH) | 69.6 |
13 (C) | 43.6 |
14 (C) | 154.6 |
15 (CH) | 124.3 |
16 (C) | 163.9 |
17 (CH) | 79.2 |
18 (CH3) | 14.9 |
19 (CH3) | 17.4 |
20 (C) | 122.6 |
21 (CH) | 142.7 |
22 (CH) | 111.1 |
23 (CH) | 144.3 |
28 (CH3) | 15.9 |
29 (CH2) | 44.7 |
30 (CH) | 75.4 |
3a (C) | 120.3 |
3b (CH3) | 16.7 |
7a (CH3) | 170.7 |
8a (C) | 21.8 |
8b (CH3) | 52.9 |
12a (C) | 170.6 |
12b (CH3) | 20 |