Cycloaraloside C (astrailienin A)

Cycloaraloside C (astrailienin A)

Common Name: Cycloaraloside C (astrailienin A)

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H68O14/c1-34(2)24(53-32-28(27(47)26(46)22(16-42)52-32)54-33-31(48)41(50,18-43)19-51-33)9-11-40-17-39(40)13-12-36(5)30(38(7)10-8-25(55-38)35(3,4)49)21(45)15-37(36,6)23(39)14-20(44)29(34)40/h20-33,42-50H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,36+,37-,38+,39-,40+,41+/m0/s1

InChIKey: InChIKey=DMAOFWOOOIHKPU-NNGAJOSASA-N

Formula: C41H68O14

Molecular Weight: 784.971812

Exact Mass: 784.460907

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) 32.42
2 (CH2) 30.15
3 (CH) 88.87
4 (C) 42.58
5 (CH) 54.01
6 (CH) 67.97
7 (CH2) 38.54
8 (CH) 46.98
9 (C) 20.84
10 (C) 29.43
11 (CH2) 26.37
12 (CH2) 33.39
13 (C) 45.04
14 (C) 46.09
15 (CH2) 46.61
16 (CH) 73.43
17 (CH) 58.34
18 (CH3) 21.51
19 (CH2) 30.47
20 (C) 87.25
21 (CH3) 28.16
22 (CH2) 34.88
23 (CH2) 26.37
24 (CH) 81.72
25 (C) 71.26
26 (CH3) 27.12
27 (CH3) 28.53
28 (CH3) 28.76
29 (CH3) 20.17
30 (CH3) 16.58
1' (CH) 105.47
2' (CH) 79.4
3' (CH) 78.66
4' (CH) 72.01
5' (CH) 78.21
6' (CH2) 62.89
1'' (CH) 111.15
2'' (CH) 77.83
3'' (C) 80.52
4'' (CH2) 75.59
5'' (CH2) 66.11