2β,16α,2R-trihydroxy-10α,17α-cucurbit-5,25-dien-3,11,22-trione

2β,16α,2R-trihydroxy-10α,17α-cucurbit-5,25-dien-3,11,22-trione

Common Name: 2β,16α,2R-trihydroxy-10α,17α-cucurbit-5,25-dien-3,11,22-trione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H44O6/c1-16(2)9-12-22(33)30(8,36)24-20(32)14-27(5)21-11-10-17-18(13-19(31)25(35)26(17,3)4)29(21,7)23(34)15-28(24,27)6/h10,18-21,24,31-32,36H,1,9,11-15H2,2-8H3/t18-,19+,20-,21+,24+,27+,28-,29+,30+/m1/s1

InChIKey: InChIKey=CHZGPLCUBMPKEA-WQBZCINDSA-N

Formula: C30H44O6

Molecular Weight: 500.6679

Exact Mass: 500.313789

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lang, K.L., da Rosa Guimaraes, T., Rocha Machado, V., Zimmermann, L.A., Silva, I.T., Teixeira, M.R., Duran, F.J., Palermo, J.A., Simoes, C.M., Caro, M.S., Schenkel, E.P. Planta Med (2011) 77, 1648-51

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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 (CH2) 36
2 (CH) 71.6
3 (C) 213
4 (C) 50.3
5 (C) 140.5
6 (CH) 120.4
7 (CH2) 23.9
8 (CH) 42.3
9 (C) 48.4
10 (CH) 33.8
11 (C) 212.1
12 (CH2) 48.6
13 (C) 48.3
14 (C) 50.7
15 (CH2) 45.4
16 (CH) 71.6
17 (CH) 57.6
18 (CH3) 19.8
19 (CH3) 20.1
20 (C) 78.8
21 (CH3) 24.3
22 (C) 213.9
23 (CH2) 31.6
24 (CH2) 34.4
25 (C) 144.5
26 (CH3) 22.6
27 (CH2) 110.4
28 (CH3) 29.3
29 (CH3) 21.2
30 (CH3) 18.8