KEGG   COMPOUND: C08914
Entry
C08914                      Compound                               

Name
Tigogenin;
5-alpha-Spirostan-3-beta-ol
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  27-Carbon atoms
   Spirostan derivatives
    C08914  Tigogenin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08914  Tigogenin
Other DBs
CAS: 77-60-1
PubChem: 11106
ChEBI: 9595
ChEMBL: CHEMBL43871
KNApSAcK: C00003593
3DMET: B02520
NIKKAJI: J4.209I
KCF data

ATOM        30
            1   C1z C    30.1393  -15.3775
            2   C1y C    27.8187  -15.3775
            3   O2x O    30.1393  -16.7303
            4   C1x C    31.3054  -16.0482
            5   O2x O    30.1450  -14.0307
            6   C1y C    27.8187  -16.7245
            7   C1a C    26.8624  -14.4156
            8   C1y C    28.9847  -17.4009
            9   C1x C    32.4657  -15.3835
            10  C1x C    31.3054  -13.3660
            11  C1z C    26.6467  -17.3835
            12  C1x C    28.9497  -18.6779
            13  C1y C    32.4716  -14.0307
            14  C1y C    26.6350  -18.7187
            15  C1x C    25.4864  -16.6954
            16  C1a C    26.6408  -16.0307
            17  C1a C    33.6377  -13.3660
            18  C1y C    25.4688  -19.3834
            19  C1x C    24.3144  -17.3602
            20  C1y C    24.3027  -18.7012
            21  C1x C    25.4688  -20.7304
            22  C1z C    23.0665  -19.3776
            23  C1x C    24.2910  -21.3951
            24  C1y C    23.1307  -20.7187
            25  C1x C    21.9761  -18.7012
            26  C1a C    23.1248  -18.0249
            27  C1x C    21.9761  -21.3891
            28  C1x C    20.8042  -19.3776
            29  C1y C    20.8042  -20.7187
            30  O1a O    19.6379  -21.3891
BOND        35
            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   29  30 1 #Up
            30    6   8 1
            31   10  13 1
            32   12  14 1
            33   19  20 1
            34   23  24 1
            35   28  29 1

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