Entry |
|
Name |
Neriifolin;
Digitoxigenin 3-(alpha-L-thevetoside)
|
Formula |
C30H46O8
|
Exact mass |
534.3193
|
Mol weight |
534.6814
|
Structure |
|
Brite |
Compounds with biological roles [BR:br08001]
Steroids
23-Carbon atoms
Cardanolide derivatives
C08876 Neriifolin
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08876 Neriifolin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08876 Neriifolin
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08876 Neriifolin
|
Other DBs |
|
KCF data |
ATOM 38
1 C1y C 22.8209 -20.5819
2 C1y C 22.8381 -21.9643
3 O2x O 21.6111 -19.9027
4 C1y C 21.6502 -22.6706
5 O1a O 24.0480 -22.6436
6 C1y C 20.4234 -20.6089
7 C1y C 20.4376 -21.9966
8 O2a O 21.6616 -24.0634
9 C1a C 19.2107 -19.9349
10 O1a O 19.2468 -22.7079
11 C1a C 20.4739 -24.7694
12 C1y C 28.9938 -17.4527
13 C1x C 29.0054 -16.0711
14 C1z C 27.7116 -18.1434
15 C1y C 30.1822 -18.1552
16 C1x C 30.1996 -15.3860
17 C1y C 27.7059 -19.5308
18 C1x C 26.5876 -17.4527
19 C1a C 27.7001 -16.7560
20 C1z C 31.3763 -17.4703
21 C1x C 30.1822 -19.5425
22 C1z C 31.3938 -16.0946
23 C1x C 26.5876 -20.2216
24 C1x C 28.9819 -20.2275
25 C1x C 25.3874 -18.1434
26 C1x C 33.7705 -17.4995
27 O1a O 31.3644 -18.8518
28 C1y C 32.5941 -15.4154
29 C1a C 31.3880 -14.7071
30 C1y C 25.3874 -19.5308
31 C1x C 33.7179 -16.1238
32 C2y C 32.5881 -14.0280
33 O2a O 24.1816 -20.2216
34 C2x C 33.9696 -14.0280
35 C1x C 32.1667 -12.7166
36 C7x C 34.4030 -12.7166
37 O7x O 33.2789 -11.9028
38 O6a O 35.7201 -12.2893
BOND 43
1 6 7 1
2 1 2 1
3 1 3 1
4 2 4 1
5 2 5 1 #Up
6 3 6 1
7 4 7 1
8 4 8 1 #Down
9 6 9 1 #Down
10 7 10 1 #Up
11 12 13 1
12 12 14 1
13 12 15 1
14 13 16 1
15 14 17 1
16 14 18 1
17 14 19 1 #Up
18 15 20 1
19 15 21 1
20 16 22 1
21 17 23 1
22 17 24 1
23 18 25 1
24 20 26 1
25 20 27 1 #Up
26 22 28 1
27 22 29 1 #Up
28 23 30 1
29 26 31 1
30 28 32 1
31 30 33 1 #Up
32 32 34 2
33 32 35 1
34 34 36 1
35 35 37 1
36 36 38 2
37 20 22 1
38 21 24 1
39 25 30 1
40 28 31 1
41 36 37 1
42 8 11 1
43 1 33 1 #Up
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