COMPOUND: C17058
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Entry
C17058 Compound
Name
Resibufogenin;
Bufogein;
(3beta,5beta,15beta)-14,15-Epoxy-3-hydroxybufa-20,22-dienolide
Formula
C24H32O4
Exact mass
384.2301
Mol weight
384.5085
Structure
Mol file
KCF file
DB search
Remark
Same as:
D01378
Brite
Compounds with biological roles [BR:
br08001
]
Steroids
24-Carbon atoms
Bufanolide derivatives
C17058 Resibufogenin
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0113 Bufanolides and derivatives
C17058 Resibufogenin
BRITE hierarchy
Other DBs
CAS:
465-39-4
PubChem:
96023536
ChEBI:
31319
LIPIDMAPS:
LMST01130031
PDB-CCD:
6JI
[
PDBj
]
NIKKAJI:
J2.050H
LinkDB
All DBs
KCF data
Show
ATOM 28
1 C1x C 24.0100 -23.8000
2 C1y C 24.0100 -25.2000
3 C1x C 25.2700 -25.9000
4 C1x C 25.2700 -23.1700
5 C1z C 26.3900 -23.8000
6 C1y C 26.3900 -25.2000
7 C1x C 27.5100 -25.9000
8 C1x C 28.7000 -25.2000
9 C1y C 27.5100 -23.1700
10 C1y C 28.7000 -23.8000
11 C1x C 28.7700 -21.2100
12 C1x C 27.5100 -21.8400
13 C1z C 29.8900 -21.8400
14 C1x C 32.2000 -21.9100
15 C1y C 31.0800 -21.2100
16 C1y C 32.2000 -23.1700
17 C1z C 29.8900 -23.1700
18 C8y C 31.0800 -19.8100
19 C1a C 29.8900 -20.5100
20 C1a C 26.3900 -22.4700
21 O1a O 22.8900 -25.9000
22 C8x C 32.2700 -19.1800
23 C8x C 32.2700 -17.8500
24 C8y C 31.1500 -17.1500
25 O7x O 29.8900 -17.8500
26 C8x C 29.8900 -19.1800
27 O6a O 31.1500 -15.8200
28 O2x O 31.0800 -24.5700
BOND 33
1 5 6 1
2 13 17 1
3 16 14 1
4 14 15 1
5 15 13 1
6 6 7 1
7 7 8 1
8 8 10 1
9 9 5 1
10 15 18 1
11 5 4 1
12 13 19 1 #Up
13 4 1 1
14 5 20 1 #Up
15 1 2 1
16 2 21 1 #Up
17 9 10 1
18 10 17 1
19 13 11 1
20 11 12 1
21 12 9 1
22 18 22 1
23 22 23 2
24 23 24 1
25 24 25 1
26 25 26 1
27 26 18 2
28 2 3 1
29 24 27 2
30 3 6 1
31 17 28 1 #Up
32 17 16 1
33 16 28 1 #Up
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