Erythrocarpine E

Erythrocarpine E

Common Name: Erythrocarpine E

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H40O10/c1-32-20-44-36(41)25(31(32)45-27(37)11-10-21-8-6-5-7-9-21)16-24-23(34(36,3)26(32)17-28(38)42-4)12-14-33(2)30(22-13-15-43-19-22)46-29(39)18-35(24,33)40/h5-11,13,15-16,19,23,25-26,30-31,40-41H,12,14,17-18,20H2,1-4H3/b11-10+/t23-,25-,26-,30-,31+,32+,33-,34+,35+,36+/m0/s1

InChIKey: InChIKey=JKHVALJIGRIJJO-PUQCIWEUSA-N

Formula: C36H40O10

Molecular Weight: 632.698172

Exact Mass: 632.262148

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Awang, K., Lim, C.S., Mohamad, K., Morita, H., Hirasawa, Y., Takeya, K., Thoison, O., Hadi, A.H.A. Bioorg Med Chem (2007) 15, 5997-6002

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) 97.3
2 (CH) 44.8
3 (CH) 74.9
4 (C) 36.2
5 (CH) 34.9
6 (CH2) 31.7
7 (C) 174
8 (C) 140.5
9 (CH) 43.6
10 (C) 41.4
11 (CH2) 19
12 (CH2) 28.2
13 (C) 41.2
14 (C) 78.9
15 (CH2) 39.4
16 (C) 168.8
17 (CH) 76.9
18 (CH3) 14.8
19 (CH3) 14.7
20 (C) 120.3
21 (CH) 146.2
22 (CH) 109.8
23 (CH) 142.6
28 (CH3) 15.5
29 (CH2) 67.9
30 (CH) 122.1
1' (C) 166.4
2' (CH) 117
3' (CH) 146.2
4' (C) 134.4
5' (CH) 128.3
6' (CH) 128.5
7' (CH) 129.9
8' (CH) 128.5
9' (CH) 128.3
7a (CH3) 52.1