COMPOUND: C16969
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Entry
C16969 Compound
Name
Hellebrigenin;
Bufotalidin;
(3beta,5beta)-3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide
Formula
C24H32O6
Exact mass
416.2199
Mol weight
416.5073
Structure
Mol file
KCF file
DB search
Brite
Compounds with biological roles [BR:
br08001
]
Steroids
24-Carbon atoms
Bufanolide derivatives
C16969 Hellebrigenin
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0113 Bufanolides and derivatives
C16969 Hellebrigenin
BRITE hierarchy
Other DBs
CAS:
465-90-7
PubChem:
96023455
ChEBI:
38344
LIPIDMAPS:
LMST01130004
KNApSAcK:
C00033905
NIKKAJI:
J12.117G
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All DBs
KCF data
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ATOM 30
1 C1z C 26.8344 -22.2845
2 C1y C 28.0233 -21.6002
3 C1z C 26.8285 -23.6531
4 C1x C 25.6397 -21.5943
5 C4a C 26.8169 -20.9100
6 C1y C 29.2005 -22.2961
7 C1x C 28.0349 -20.2316
8 C1x C 25.6397 -24.3432
9 C1x C 28.0117 -24.3489
10 O1a O 26.8112 -25.0216
11 C1x C 24.4508 -22.2845
12 O4a O 25.6224 -20.2199
13 C1z C 30.3835 -21.6175
14 C1x C 29.2005 -23.6647
15 C1x C 29.2237 -19.5530
16 C1y C 24.4508 -23.6531
17 C1z C 30.4010 -20.2489
18 C1x C 32.7555 -21.6466
19 O1a O 30.3719 -22.9804
20 O1a O 23.2621 -24.3432
21 C1y C 31.6013 -19.5820
22 C1a C 30.3951 -18.8744
23 C1x C 32.7728 -20.2780
24 C8y C 31.5429 -18.2017
25 C8x C 32.7260 -17.5115
26 C8x C 30.3426 -17.5231
27 C8x C 32.7901 -16.1371
28 O7x O 30.3367 -16.1487
29 C8y C 31.5256 -15.4529
30 O6a O 31.5198 -14.0900
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 5 12 2
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 1
16 13 17 1
17 13 18 1
18 13 19 1 #Up
19 16 20 1 #Up
20 17 21 1
21 17 22 1 #Up
22 18 23 1
23 21 24 1
24 24 25 1
25 24 26 2
26 25 27 2
27 26 28 1
28 27 29 1
29 29 30 2
30 9 14 1
31 11 16 1
32 15 17 1
33 21 23 1
34 28 29 1
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