KEGG   COMPOUND: C17258
Entry
C17258                      Compound                               

Name
Calcium sulfate hemihydrate
Formula
(CaSO4)2. H2O
Exact mass
289.8392
Mol weight
290.2965
Structure
Brite
Major components of natural products [BR:br08323]
 Crude drugs
  Exsiccated gypsum
   C17258  Calcium sulfate hemihydrate
Other DBs
CAS: 10034-76-1
PubChem: 96023665
ChEBI: 32584
NIKKAJI: J2.806.255I
KCF data

ATOM        13
            1   S4a S    22.6800  -16.9400
            2   O1d O    22.6800  -15.5400
            3   O1d O    22.6800  -18.3400
            4   O1d O    24.0800  -16.9400 #-
            5   O1d O    21.2800  -16.9400 #-
            6   Z   Ca   25.9000  -16.8700 #2+
            7   O0  O    30.8000  -17.3600
            8   S4a S    22.6800  -16.9400
            9   O1d O    22.6800  -18.3400
            10  O1d O    24.0800  -16.9400 #-
            11  O1d O    21.2800  -16.9400 #-
            12  O1d O    22.6800  -15.5400
            13  Z   Ca   25.9000  -16.8700 #2+
BOND        8
            1     1   3 2
            2     1   4 1
            3     1   5 1
            4     1   2 2
            5     8   9 2
            6     8  10 1
            7     8  11 1
            8     8  12 2
BRACKET     1    20.4400  -19.3200   20.4400  -14.4200
            1    27.8600  -14.4200   27.8600  -19.3200
            1  2
 ORIGINAL  1    1   3   4   5   2   6
 REPEAT    1    8   9  10  11  12  13

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