Jinfushanosides C

Jinfushanosides C

Common Name: Jinfushanosides C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H68O14/c1-21(8-7-9-22(17-43)20-53-37-35(51)33(49)31(47)26(18-44)54-37)23-14-15-40(4)28-12-10-24-25(42(28,6)29(46)16-41(23,40)5)11-13-30(39(24,2)3)56-38-36(52)34(50)32(48)27(19-45)55-38/h9-10,21,23,25-28,30-38,43-45,47-52H,7-8,11-20H2,1-6H3/b22-9+/t21-,23-,25-,26-,27-,28+,30+,31-,32-,33+,34+,35-,36-,37-,38+,40+,41-,42+/m1/s1

InChIKey: InChIKey=MRMWADAGNSNVKO-SSUYMDGISA-N

Formula: C42H68O14

Molecular Weight: 796.982548

Exact Mass: 796.460907

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chen, J.C., Niu, X.M., Li, Z.R., Qiu, M.H. Planta Med (2005) 71, 983-6

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) 22.1
2 (CH2) 28
3 (CH) 87.3
4 (C) 42
5 (C) 141.2
6 (CH) 118.5
7 (CH2) 24.1
8 (CH) 43.9
9 (C) 49.5
10 (CH) 35.9
11 (C) 213.8
12 (CH2) 48.7
13 (C) 48.9
14 (C) 49
15 (CH2) 34.5
16 (CH2) 28.4
17 (CH) 49.5
18 (CH3) 16.9
19 (CH3) 20.3
20 (CH) 35.8
21 (CH3) 18.2
22 (CH2) 36.5
23 (CH2) 24.6
24 (CH) 131.6
25 (C) 137.1
26 (CH2) 72.8
27 (CH2) 58.2
28 (CH3) 28.3
29 (CH3) 25.9
30 (CH3) 18.4
1' (CH) 107.4
2' (CH) 75.5
3' (CH) 78.7
4' (CH) 71.7
5' (CH) 78.5
6' (CH2) 63
1'' (CH) 103.4
2'' (CH) 75.2
3'' (CH) 78.7
4'' (CH) 71.7
5'' (CH) 78.2
6'' (CH2) 62.8