40242-27-1
BETAMETHASONE-21-ADAMANTOATE
Name
BETAMETHASONE-21-ADAMANTOATE
pro_formula
C33 H43 F O6
pro_molWeight
554.695
1Identification
【Name】
BETAMETHASONE-21-ADAMANTOATE
【CAS】
【MDL】
MFCD00200360
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C33 H43 F O6
【pro_molWeight】
554.695
【Inchi】
InChI=1S/C33H43FO6/c1-18-8-25-24-5-4-22-12-23(35)6-7-29(22,2)32(24,34)26(36)16-30(25,3)33(18,39)27(37)17-40-28(38)31-13-19-9-20(14-31)11-21(10-19)15-31/h6-7,12,18-21,24-26,36,39H,4-5,8-11,13-17H2,1-3H3/t18-,19-,20+,21-,24-,25-,26-,29-,30-,31-,32-,33-/m0/s1
【InChIKey】
InChIKey=NNYUDLQXONVMAY-DCTKIZFSSA-N
【SMILES】
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)[C@]56C[C@@H]7C[C@H](C5)C[C@@H](C7)C6)O)C)O)F)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BETAMETHASONE-21-ADAMANTOATE.cml
quick_release
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