13796-49-1
9-BROMO-11,17,21-TRIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE
Name
9-BROMO-11,17,21-TRIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE
Formula
C24 H31 Br O6
MolWeight
495.407
1Identification
【Name】
9-BROMO-11,17,21-TRIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE
【CAS】
【MDL】
MFCD19705182
【English Synonyms】
【Formula】
C24 H31 Br O6
【MolWeight】
495.407
【Inchi】
InChI=1S/C24H31BrO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1
【InChIKey】
InChIKey=PLVGDQKUTWULDB-RPRRAYFGSA-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)O)C)O)Br)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-BROMO-11,17,21-TRIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE.cml
Quick Release
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Angene International Limited
Catalog No:AG-D-76981 nullnull
Country/Region:Hong Kong
Business Type:Trading Company
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Catalog No:AG-D-76981 nullnull
Country/Region:Hong Kong
Business Type:Trading Company
http://www.an-gene.com
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