15180-00-4
PREDNIVAL
Name
PREDNIVAL
Formula
C26 H36 O6
MolWeight
444.564
1Identification
【Name】
PREDNIVAL
【CAS】
【MDL】
MFCD00468097
【English Synonyms】
【Formula】
C26 H36 O6
【MolWeight】
444.564
【Inchi】
InChI=1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
【InChIKey】
InChIKey=BOFKYYWJAOZDPB-FZNHGJLXSA-N
【SMILES】
CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PREDNIVAL.cml
Quick Release
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