KEGG   COMPOUND: C08834
Entry
C08834                      Compound                               
Name
Polypodine B;
2beta,3beta,5beta,14,20,22R,25-Heptahydroxycholest-7-en-6-one
Formula
C27H44O8
Exact mass
496.3036
Mol weight
496.6335
Structure
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C08834  Polypodine B
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cholestane
    C08834  Polypodine B
Other DBs
CAS: 18069-14-2
PubChem: 11027
ChEBI: 28485
LIPIDMAPS: LMST01010198
KNApSAcK: C00003666
3DMET: B02444
NIKKAJI: J16.060A
LinkDB
KCF data

ATOM        35
            1   C1z C    22.7149  -21.3283
            2   C2y C    21.5285  -22.0062
            3   C1z C    22.6622  -19.9608
            4   C1x C    25.0876  -21.3576
            5   O1a O    22.7031  -22.7019
            6   C1y C    20.3421  -21.3166
            7   C2x C    21.5285  -23.3798
            8   C1y C    23.9304  -19.2887
            9   C1x C    21.5519  -19.2594
            10  C1a C    22.6507  -18.5815
            11  C1x C    25.0351  -19.9901
            12  C1z C    19.1496  -21.9945
            13  C1x C    20.3538  -19.9433
            14  C5x C    20.3304  -24.0694
            15  C1d C    23.9364  -17.9095
            16  C1z C    19.2140  -23.3738
            17  C1x C    17.9633  -21.3108
            18  C1a C    19.1323  -20.6154
            19  O5x O    20.3127  -25.4427
            20  C1c C    25.1228  -17.2315
            21  C1a C    22.7383  -17.2255
            22  O1a O    23.9304  -16.5360
            23  C1x C    17.9633  -24.0635
            24  O1a O    19.1965  -24.7414
            25  C1y C    16.7595  -21.9945
            26  C1b C    26.3149  -17.9212
            27  O1a O    25.1168  -15.8581
            28  C1y C    16.7595  -23.3738
            29  O1a O    15.5731  -21.3108
            30  C1b C    27.5014  -17.2433
            31  O1a O    15.5731  -24.0635
            32  C1d C    28.6877  -17.9270
            33  C1a C    29.8858  -17.2433
            34  O1a O    29.8800  -18.6165
            35  C1a C    28.6877  -19.2945
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   12  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   14  19 2
            19   15  20 1
            20   15  21 1 #Down
            21   15  22 1 #Up
            22   16  23 1
            23   16  24 1 #Up
            24   17  25 1
            25   20  26 1
            26   20  27 1 #Down
            27   23  28 1
            28   25  29 1 #Up
            29   26  30 1
            30   28  31 1 #Up
            31   30  32 1
            32   32  33 1
            33   32  34 1
            34   32  35 1
            35    8  11 1
            36    9  13 1
            37   14  16 1
            38   25  28 1

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