KEGG   COMPOUND: C04715
Entry
C04715                      Compound                               

Name
Nuatigenin;
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol
Formula
C27H42O4
Exact mass
430.3083
Mol weight
430.62
Structure
Reaction
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  27-Carbon atoms
   Furostan derivatives
    C04715  Nuatigenin
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0109 Furospirostanols and derivatives
    C04715  Nuatigenin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C04715  Nuatigenin
Other DBs
CAS: 6811-35-4
PubChem: 7287
ChEBI: 15574
KNApSAcK: C00003581
NIKKAJI: J14.285I
KCF data

ATOM        31
            1   C1a C    32.4693  -14.0058
            2   C1z C    33.1546  -15.1887
            3   C1b C    33.8314  -14.0058
            4   O1a O    35.0311  -13.3061
            5   O2x O    31.9713  -15.8725
            6   C1z C    31.9713  -17.2327
            7   C1x C    34.3309  -17.1627
            8   C1x C    34.3309  -15.8725
            9   C1y C    29.7072  -17.2385
            10  O2x O    31.9725  -18.5566
            11  C1y C    29.7015  -18.5508
            12  C1a C    28.7777  -16.3030
            13  C1y C    30.8457  -19.2192
            14  C1z C    28.5630  -19.1901
            15  C1x C    30.8807  -20.5256
            16  C1y C    28.5456  -20.4964
            17  C1x C    27.4362  -18.5217
            18  C1a C    28.5573  -17.8779
            19  C1y C    27.4129  -21.1473
            20  C1x C    26.2920  -19.1727
            21  C1y C    26.2861  -20.4847
            22  C1x C    27.4129  -22.4597
            23  C1z C    25.1419  -21.1299
            24  C2x C    26.2687  -23.1104
            25  C2y C    25.1361  -22.4480
            26  C1x C    24.0034  -20.4789
            27  C1a C    25.1302  -19.8234
            28  C1x C    24.0034  -23.1045
            29  C1x C    22.8590  -21.1299
            30  C1y C    22.8590  -22.4480
            31  O1a O    21.7207  -23.1045
BOND        36
            1     2   1 1 #Up
            2     2   3 1 #Down
            3     3   4 1
            4     6   5 1 #Down
            5     7   8 1
            6     8   2 1
            7     6   9 1
            8     6  10 1
            9     9  11 1
            10    9  12 1 #Down
            11   10  13 1
            12   11  14 1
            13   13  15 1
            14   14  16 1
            15   14  17 1
            16   14  18 1 #Up
            17   16  19 1
            18   17  20 1
            19   19  21 1
            20   19  22 1
            21   21  23 1
            22   22  24 1
            23   23  25 1
            24   23  26 1
            25   23  27 1 #Up
            26   25  28 1
            27   26  29 1
            28   28  30 1
            29   30  31 1 #Up
            30   11  13 1
            31   15  16 1
            32   20  21 1
            33   24  25 2
            34   29  30 1
            35    2   5 1
            36    6   7 1 #Up

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