-ISIS- 05031710462D
78 88 0 0 0 0 0 0 0 0999 V2000
1.5875 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5875 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0750 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0750 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -8.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5667 -8.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5667 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0750 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -6.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3167 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3167 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0750 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -9.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8458 -8.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8458 -7.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0583 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0583 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8042 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5458 -3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2917 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2917 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5458 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5458 -1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 -3.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5667 -11.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5667 -12.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3083 -12.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0500 -12.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0500 -11.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3083 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -11.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -12.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3083 -13.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9125 -11.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2167 -6.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2167 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9583 -7.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7083 -6.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7083 -6.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.9583 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9583 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4500 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4750 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4750 -7.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4500 -7.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7333 -6.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1500 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5792 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1333 -12.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6167 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4750 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9083 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7625 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1917 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7625 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9083 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1875 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3250 -10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8958 -10.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3250 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1875 -11.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1292 -9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9542 -9.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8750 -9.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0458 -9.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0458 -10.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1917 -12.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1875 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9083 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9000 -12.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0417 -10.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 6 1 0 0 0 0
9 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
12 17 2 0 0 0 0
7 18 2 0 0 0 0
2 19 1 0 0 0 0
1 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
24 31 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
36 41 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
44 48 1 1 0 0 0
46 49 1 0 0 0 0
42 50 1 1 0 0 0
43 51 1 6 0 0 0
45 52 1 6 0 0 0
50 53 1 0 0 0 0
26 54 1 0 0 0 0
54 55 2 0 0 0 0
54 53 1 0 0 0 0
41 56 2 0 0 0 0
41 51 1 0 0 0 0
25 16 1 0 0 0 0
3 37 1 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 58 1 0 0 0 0
57 64 2 0 0 0 0
64 65 1 0 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
68 57 1 0 0 0 0
63 69 1 0 0 0 0
69 70 2 0 0 0 0
64 71 1 0 0 0 0
71 72 2 0 0 0 0
71 48 1 0 0 0 0
52 69 1 0 0 0 0
61 73 1 0 0 0 0
60 74 1 0 0 0 0
68 75 1 0 0 0 0
59 76 1 0 0 0 0
67 77 1 0 0 0 0
66 78 1 0 0 0 0
M END
> <Catalog No.>
CFN99938
> <Name>
Punicalagin
> <CAS Number>
65995-63-3
> <Purity>
98%
> <Formula>
C48H28O30
> <Mol Weight>
1084.72
> <Physical Description>
Powder
> <Type of Compound>
Phenols
> <Solvent>
Pyridine, Methanol, Ethanol, etc.
> <WebLink>
http://www.chemfaces.com/natural/Punicalagin-CFN99938.html
$$$$