COMPOUND: C17072
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Entry
C17072 Compound
Name
Telocinobufagin;
(3beta,5beta)-3,5,14-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
C17072 Telocinobufagin
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0113 Bufanolides and derivatives
C17072 Telocinobufagin
BRITE hierarchy
Other DBs
CAS:
472-26-4
PubChem:
96023550
ChEBI:
80908
LIPIDMAPS:
LMST01130025
NIKKAJI:
J5.951J
LinkDB
All DBs
KCF data
Show
ATOM 29
1 C1x C 22.1900 -23.9400
2 C1y C 22.1900 -25.2700
3 C1x C 23.3100 -25.9700
4 C1z C 24.5000 -25.2700
5 C1z C 24.5000 -23.9400
6 C1x C 23.3100 -23.3100
7 C1x C 25.6200 -25.9700
8 C1x C 26.7400 -25.2700
9 C1y C 26.7400 -23.9400
10 C1y C 25.6200 -23.3100
11 C1z C 27.9300 -23.3100
12 C1z C 27.9300 -21.9800
13 C1x C 26.7400 -21.3500
14 C1x C 25.6200 -21.9800
15 C1x C 30.1000 -23.3100
16 C1x C 30.1000 -21.9800
17 C1y C 29.0500 -21.3500
18 C1a C 27.9300 -20.7200
19 C1a C 24.5000 -22.6800
20 O1a O 24.5000 -26.6000
21 O1a O 21.0700 -25.9000
22 C8y C 29.0500 -19.9500
23 C8x C 30.2400 -19.2500
24 C8x C 30.2400 -17.8500
25 C8y C 28.9800 -17.1500
26 O7x O 27.7900 -17.8500
27 C8x C 27.7900 -19.2500
28 O6a O 28.9800 -15.7500
29 O1a O 27.9595 -24.7065
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 12 18 1 #Up
22 5 19 1 #Up
23 4 20 1 #Up
24 2 21 1 #Up
25 17 22 1 #Up
26 22 23 1
27 23 24 2
28 24 25 1
29 25 26 1
30 26 27 1
31 22 27 2
32 25 28 2
33 11 29 1 #Up
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