17183-98-1
(1ALPHA)-17-(ACETYLOXY)-6-CHLORO-1-(CHLOROMETHYL)PREGNA-4,6-DIENE-3,20-DIONE
Name(1ALPHA)-17-(ACETYLOXY)-6-CHLORO-1-(CHLOROMETHYL)PREGNA-4,6-DIENE-3,20-DIONE
1Identification
【Name】
(1ALPHA)-17-(ACETYLOXY)-6-CHLORO-1-(CHLOROMETHYL)PREGNA-4,6-DIENE-3,20-DIONE
【CAS】
【MDL】
MFCD09833378
【English Synonyms】
(1S,9S,10S,13S,17R)-17-ACETYL-6-CHLORO-1-(CHLOROMETHYL)-10,13-DIMETHYL-3-OXO-2,3,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL ACETATE
【Formula】
C24 H30 Cl2 O4
【MolWeight】
453.403
【Inchi】
InChI=1S/C24H30Cl2O4/c1-13(27)24(30-14(2)28)8-6-18-17-11-21(26)20-10-16(29)9-15(12-25)23(20,4)19(17)5-7-22(18,24)3/h10-11,15,17-19H,5-9,12H2,1-4H3/t15-,17+,18+,19+,22+,23-,24+/m1/s1
【InChIKey】
InChIKey=MFEGXCLQSLHLPH-HAJWRMEISA-N
【SMILES】
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C[C@@H]([C@]34C)CCl)Cl)C)OC(=O)C
【MOL File】
(1ALPHA)-17-(ACETYLO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1ALPHA)-17-(ACETYLOXY)-6-CHLORO-1-(CHLOROMETHYL)PREGNA-4,6-DIENE-3,20-DIONE.cml