Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H34O11/c1-14(29)37-21-22(2,3)17-9-18(30)36-13-24(17)16-5-7-23(4)20(15-6-8-35-11-15)38-19(31)10-27(23,33)26(16)12-25(21,32)28(24,34)39-26/h6,8,11,16-17,20-21,32-34H,5,7,9-10,12-13H2,1-4H3/t16-,17+,20+,21+,23+,24-,25-,26-,27+,28+/m1/s1

InChIKey: InChIKey=NKDXTBIRGROVAP-JEYAJORVSA-N

Formula: C28H34O11

Molecular Weight: 546.564045

Exact Mass: 546.210112

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Zhang, H., Odeku, O.A., Wang, X.N., Yue, J.M. Phytochemistry (2008) 69, 271-5

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) 109
2 (C) 81.9
3 (CH) 82.8
4 (C) 38.1
5 (CH) 38
6 (CH2) 30.7
7 (C) 174.5
8 (C) 80.3
9 (CH) 54.1
10 (C) 46.2
11 (CH2) 21.2
12 (CH2) 31.3
13 (C) 41.1
14 (C) 72.4
15 (CH2) 38.3
16 (C) 170.9
17 (CH) 77.7
18 (CH3) 16.3
19 (CH2) 74.4
20 (C) 122.2
21 (CH) 141.7
22 (CH) 111
23 (CH) 143.2
28 (CH3) 23.8
29 (CH3) 22.7
30 (CH2) 42.9
3a (C) 170.2
3b (CH3) 20.6