I14-1324 Calcifediol hydrate (CAS# 63283-36-3)

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Catalog No.:	I14-1324
Synonym:
Cas#:	63283-36-3
MDL# :	MFCD00009248
Molecular Formula:	H2O.C27H44O2
Mole Weight:	418.34

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O.C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(CCC[C@]12C)=CC=C3C[C@@H](O)CCC3=C
  CDK  05191219042D

30 31  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.0270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9890    0.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7035    1.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4180    0.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1325    1.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8469    1.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7200    1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5450    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5601    0.6145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4739   -0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6669   -0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2544    0.3369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4474    0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445    1.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515    1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8064    0.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4195    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8954   -0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1503   -0.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5983   -1.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532   -2.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012   -2.9001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5561   -3.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942   -2.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7913   -1.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364   -0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11  3  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  1  0  0  0
 15 21  2  0  0  0  0
 21 22  1  4  0  0  0
 22 23  2  0  0  0  0
 23 24  1  4  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END

I14-1324 Calcifediol hydrate (CAS# 63283-36-3)

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