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36149-00-5
CALCIFEDIOL
Name
CALCIFEDIOL
Formula
C27 H44 O2
MolWeight
400.643
1Identification
【Name】
CALCIFEDIOL
【CAS】
63283-36-3
;21343-40-8
;19356-17-3
;36149-00-5
【MDL】
MFCD00867077
【English Synonyms】
【Formula】
C27 H44 O2
【MolWeight】
400.643
【Inchi】
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
【InChIKey】
InChIKey=JWUBBDSIWDLEOM-DTOXIADCSA-N
【SMILES】
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:9.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
1
4CML File
CALCIFEDIOL.cml
Quick Release
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