103404-60-0
17ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 3-(O-CARBOXYMETHYL)OXIME 17-ACETATE
Name
17ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 3-(O-CARBOXYMETHYL)OXIME 17-ACETATE
Formula
C25 H35 N O6
MolWeight
445.552
1Identification
【Name】
17ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 3-(O-CARBOXYMETHYL)OXIME 17-ACETATE
【CAS】
【MDL】
MFCD01314547
【English Synonyms】
【Formula】
C25 H35 N O6
【MolWeight】
445.552
【Inchi】
InChI=1S/C25H35NO6/c1-15(27)25(32-16(2)28)12-9-21-19-6-5-17-13-18(26-31-14-22(29)30)7-10-23(17,3)20(19)8-11-24(21,25)4/h13,19-21H,5-12,14H2,1-4H3,(H,29,30)/b26-18+/t19-,20+,21+,23+,24+,25+/m1/s1
【InChIKey】
InChIKey=NIJDYRWVCFKWIL-IEMAJDPISA-N
【SMILES】
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/OCC(=O)O)/CC[C@]34C)C)OC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
17ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 3-(O-CARBOXYMETHYL)OXIME 17-ACETATE.cml
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Catalog No:SHG0000666 5MG
Country/Region:United States
Business Type:Others
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