xyloccensin T

xyloccensin T

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)

Carbon NMR Peaks

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