163217-09-2
INECALCITOL
Name
INECALCITOL
Formula
C26 H40 O3
MolWeight
400.599
1Identification
【Name】
INECALCITOL
【CAS】
【MDL】
MFCD09838524
【English Synonyms】
【Formula】
C26 H40 O3
【MolWeight】
400.599
【Inchi】
InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1
【InChIKey】
InChIKey=HHGRMHMXKPQNGF-WNSNRMDMSA-N
【SMILES】
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
INECALCITOL.cml
Quick Release
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