KEGG   COMPOUND: C08899
Entry
C08899                      Compound                               
Name
Gitogenin;
(2alpha,3beta,5alpha,25R)-Spirostan-2,3-diol
Formula
C27H44O4
Exact mass
432.324
Mol weight
432.6359
Structure
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  27-Carbon atoms
   Spirostan derivatives
    C08899  Gitogenin
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0108 Spirostanols and derivatives
    C08899  Gitogenin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08899  Gitogenin
Other DBs
CAS: 511-96-6
PubChem: 11092
ChEBI: 5363
LIPIDMAPS: LMST01080010
KNApSAcK: C00003577
3DMET: B02507
NIKKAJI: J6.270G
KCF data

ATOM        31
            1   C1z C    30.1539  -15.4109
            2   C1y C    27.8314  -15.4109
            3   O2x O    30.1539  -16.7647
            4   C1x C    31.3211  -16.0819
            5   O2x O    30.1598  -14.0628
            6   C1y C    27.8314  -16.7588
            7   C1a C    26.8744  -14.4480
            8   C1y C    28.9986  -17.4357
            9   C1x C    32.4881  -15.4167
            10  C1x C    31.3211  -13.3918
            11  C1z C    26.6642  -17.4124
            12  C1x C    28.9635  -18.7838
            13  C1y C    32.4881  -14.0628
            14  C1y C    26.6468  -18.7545
            15  C1x C    25.4972  -16.7297
            16  C1a C    26.6527  -16.0585
            17  C1a C    33.6553  -13.3976
            18  C1y C    25.4796  -19.4140
            19  C1x C    24.2600  -17.3950
            20  C1y C    24.3184  -18.7371
            21  C1x C    25.4796  -20.7679
            22  C1z C    23.1454  -19.4081
            23  C1x C    24.3067  -21.4331
            24  C1y C    23.1397  -20.7562
            25  C1x C    21.9842  -18.7312
            26  C1a C    23.1337  -18.0543
            27  C1x C    21.9842  -21.4272
            28  C1y C    20.8112  -19.4081
            29  C1y C    20.8112  -20.7562
            30  O1a O    19.6500  -18.7312
            31  O1a O    19.6500  -21.4272
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   24  27 1
            27   25  28 1
            28   27  29 1
            29   28  30 1 #Down
            30   29  31 1 #Up
            31    6   8 1
            32   10  13 1
            33   12  14 1
            34   19  20 1
            35   23  24 1
            36   28  29 1

» Japanese version

  All links  
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
All databases (6)   

Download RDF
DBGET integrated database retrieval system