Entry |
|
Name |
Tigogenin;
5-alpha-Spirostan-3-beta-ol
|
Formula |
C27H44O3
|
Exact mass |
416.329
|
Mol weight |
416.6365
|
Structure |
|
Brite |
Compounds with biological roles [BR:br08001]
Steroids
27-Carbon atoms
Spirostan derivatives
C08914 Tigogenin
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0108 Spirostanols and derivatives
C08914 Tigogenin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Spirostan
C08914 Tigogenin
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Other DBs |
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LinkDB |
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KCF data |
ATOM 30
1 C1z C 30.1393 -15.3775
2 C1y C 27.8187 -15.3775
3 O2x O 30.1393 -16.7303
4 C1x C 31.3054 -16.0482
5 O2x O 30.1450 -14.0307
6 C1y C 27.8187 -16.7245
7 C1a C 26.8624 -14.4156
8 C1y C 28.9847 -17.4009
9 C1x C 32.4657 -15.3835
10 C1x C 31.3054 -13.3660
11 C1z C 26.6467 -17.3835
12 C1x C 28.9497 -18.6779
13 C1y C 32.4716 -14.0307
14 C1y C 26.6350 -18.7187
15 C1x C 25.4864 -16.6954
16 C1a C 26.6408 -16.0307
17 C1a C 33.6377 -13.3660
18 C1y C 25.4688 -19.3834
19 C1x C 24.3144 -17.3602
20 C1y C 24.3027 -18.7012
21 C1x C 25.4688 -20.7304
22 C1z C 23.0665 -19.3776
23 C1x C 24.2910 -21.3951
24 C1y C 23.1307 -20.7187
25 C1x C 21.9761 -18.7012
26 C1a C 23.1248 -18.0249
27 C1x C 21.9761 -21.3891
28 C1x C 20.8042 -19.3776
29 C1y C 20.8042 -20.7187
30 O1a O 19.6379 -21.3891
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 8 12 1
12 9 13 1
13 11 14 1
14 11 15 1
15 11 16 1 #Up
16 13 17 1 #Down
17 14 18 1
18 15 19 1
19 18 20 1
20 18 21 1
21 20 22 1
22 21 23 1
23 22 24 1
24 22 25 1
25 22 26 1 #Up
26 24 27 1
27 25 28 1
28 27 29 1
29 29 30 1 #Up
30 6 8 1
31 10 13 1
32 12 14 1
33 19 20 1
34 23 24 1
35 28 29 1
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