Common Name: Cycloascauloside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H72O15/c1-20-28(48)30(50)32(52)36(55-20)54-18-24-29(49)31(51)33(56-21(2)45)37(57-24)58-26-11-13-44-19-43(44)15-14-40(7)35(42(9)12-10-27(59-42)39(5,6)53)23(47)17-41(40,8)25(43)16-22(46)34(44)38(26,3)4/h20,22-37,46-53H,10-19H2,1-9H3/t20-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-,40+,41-,42-,43-,44+/m0/s1
InChIKey: InChIKey=QQIDKHOLKPHBHD-KNXUJGPGSA-N
Formula: C44H72O15
Molecular Weight: 841.035188
Exact Mass: 840.487122
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Alaniya, M.D., Chkadua, N.F., Gigoshvili, T.I., Kemertelidze, E.P. Chem Nat Compd (2006) 42, 445-8
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)
Position | PPM |
---|---|
1 (CH2) | 32.7 |
2 (CH2) | 29.6 |
3 (CH) | 88.1 |
4 (C) | 42.7 |
5 (CH) | 53.8 |
6 (CH) | 68.4 |
7 (CH2) | 37.8 |
8 (CH) | 46.3 |
9 (C) | 20.3 |
10 (C) | 29.6 |
11 (CH2) | 26.2 |
12 (CH2) | 33.7 |
13 (C) | 45.5 |
14 (C) | 46.3 |
15 (CH2) | 47.4 |
16 (CH) | 73.3 |
17 (CH) | 58.8 |
18 (CH3) | 21.66 |
19 (CH2) | 30.25 |
20 (C) | 86.9 |
21 (CH3) | 28.8 |
22 (CH2) | 34.7 |
23 (CH2) | 26.17 |
24 (CH) | 85 |
25 (C) | 70.1 |
26 (CH3) | 27.5 |
27 (CH3) | 20.1 |
28 (CH3) | 29.18 |
29 (CH3) | 20.3 |
30 (CH3) | 16 |
1' (CH) | 104.6 |
2' (CH) | 79 |
3' (CH) | 78.5 |
4' (CH) | 72 |
5' (CH) | 77.8 |
6' (CH2) | 67.6 |
1'' (CH) | 101 |
2'' (CH) | 72 |
3'' (CH) | 71.7 |
4'' (CH) | 74.83 |
5'' (CH) | 68.9 |
6'' (CH3) | 17.8 |
2'a (C) | 170.02 |
2'b (CH3) | 19.7 |