Astragalus peregrinus [88]

Astragalus peregrinus [88]

Common Name: Astragalus peregrinus [88]

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C46H74O16/c1-21-30(51)32(53)34(55)38(57-21)61-35-33(54)31(52)26(19-56-22(2)47)59-39(35)60-28-12-14-46-20-45(46)16-15-42(8)37(44(10)13-11-29(58-23(3)48)41(6,7)62-44)25(50)18-43(42,9)27(45)17-24(49)36(46)40(28,4)5/h21,24-39,49-55H,11-20H2,1-10H3/t21-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38-,39-,42+,43-,44+,45-,46+/m0/s1

InChIKey: InChIKey=PNKZJGLCJVHSCR-VGAFFZBHSA-N

Formula: C46H74O16

Molecular Weight: 883.071946

Exact Mass: 882.497686

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) 32.6
2 (CH2) 30.1
3 (CH) 89.1
4 (C) 42.5
5 (CH) 54.4
6 (CH) 68.1
7 (CH2) 38.5
8 (CH) 47.1
9 (C) 21.3
10 (C) 29.4
11 (CH2) 26.3
12 (CH2) 34.5
13 (C) 46.8
14 (C) 46.3
15 (CH2) 48.4
16 (CH) 73.6
17 (CH) 60.5
18 (CH3) 20.6
19 (CH2) 30.6
20 (C) 79.8
21 (CH3) 27.4
22 (CH2) 26.9
23 (CH2) 20.7
24 (CH) 71.6
25 (C) 74.1
26 (CH3) 27.4
27 (CH3) 27.6
28 (CH3) 28.7
29 (CH3) 20.6
30 (CH3) 16.6
1' (CH) 105.4
2' (CH) 77.6
3' (CH) 79.6
4' (CH) 71.8
5' (CH) 74.6
6' (CH2) 64.3
1'' (CH) 101.8
2'' (CH) 72.36
3'' (CH) 72.4
4'' (CH) 74.1
5'' (CH) 69.5
6'' (CH3) 18.6
24a (C) 169.8
24b (CH3) 20.7
6'a (C) 176
6'b (CH3) 20.8