KEGG   COMPOUND: C17058
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
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
Other DBs
CAS: 465-39-4
PubChem: 96023536
ChEBI: 31319
LIPIDMAPS: LMST01130031
PDB-CCD: 6JI[PDBj]
NIKKAJI: J2.050H
LinkDB
KCF data

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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