Catalog Number:
AG001GU1
Chemical Name:
Pregna-1,4-diene-3,20-dione, 9,21-dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-, hydrate (1:1), (11β,16α)-
CAS Number:
141646-00-6
Molecular Formula:
C27H32Cl2O7
Molecular Weight:
539.4448
MDL Number:
MFCD00866003
IUPAC Name:
[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate;hydrate
InChI:
InChI=1S/C27H30Cl2O6.H2O/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20;/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3;1H2/t15-,18+,19+,21+,24+,25+,26+,27+;/m1./s1
InChI Key:
AQCCVUHZMIMSIB-HRVPQZBTSA-N
SMILES:
ClCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl.O
UNII:
MTW0WEG809
