COMPOUND: C16962
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Entry
C16962 Compound
Name
Gamabufogenin;
Gamabufotalin;
(3beta,5beta,11alpha)-3,11,14-Trihydroxybufa-20,22-dienolide
Formula
C24H34O5
Exact mass
402.2406
Mol weight
402.5238
Structure
Mol file
KCF file
DB search
Brite
Compounds with biological roles [BR:
br08001
]
Steroids
24-Carbon atoms
Bufanolide derivatives
C16962 Gamabufogenin
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0113 Bufanolides and derivatives
C16962 Gamabufogenin
BRITE hierarchy
Other DBs
CAS:
465-11-2
PubChem:
96023448
ChEBI:
80826
LIPIDMAPS:
LMST01130026
NIKKAJI:
J12.056A
LinkDB
All DBs
KCF data
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ATOM 29
1 C1x C 23.3331 -21.4813
2 C1y C 23.3331 -22.8524
3 C1x C 24.5205 -23.5380
4 C1y C 25.7080 -22.8524
5 C1z C 25.7080 -21.4813
6 C1x C 24.5205 -20.7957
7 C1x C 26.8954 -23.5380
8 C1x C 28.0828 -22.8524
9 C1y C 28.0828 -21.4813
10 C1y C 26.8954 -20.7957
11 C1z C 29.2703 -20.7957
12 C1z C 29.2703 -19.4246
13 C1x C 28.0828 -18.7390
14 C1y C 26.8954 -19.4246
15 C1x C 31.6451 -20.7957
16 C1x C 31.6451 -19.4246
17 C1y C 30.4577 -18.7390
18 C8y C 30.4577 -17.3679
19 C8x C 31.6491 -16.6801
20 C8x C 31.6491 -15.3090
21 C8y C 30.4616 -14.6234
22 O7x O 29.2703 -15.3112
23 C8x C 29.2703 -16.6823
24 O6a O 30.4616 -13.2545
25 C1a C 29.2703 -18.0535
26 O1a O 29.2703 -22.1669
27 C1a C 25.7080 -20.1102
28 O1a O 22.1457 -23.5380
29 O1a O 25.7080 -18.7390
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 18 19 1
23 19 20 2
24 20 21 1
25 21 22 1
26 22 23 1
27 18 23 2
28 21 24 2
29 12 25 1 #Up
30 11 26 1 #Up
31 5 27 1 #Up
32 2 28 1 #Up
33 14 29 1 #Down
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