CICLOXOLONE SODIUM
Molecular Formula:
C38H54Na2O7
InChI: InChI=1/C38H56O7.2Na/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6;;/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44);;/q;2*+1/p-2/t22-,23+,25u,27u,28-,29+,34u,35-,36u,37+,38u;;/m0../s1/fC38H54O7.2Na/q-2;2m
InChIKey: InChIKey=TYMKTTKIVJPCOT-LSJMSZDXDM
SMILES: CC1(C2CCC3(C(C2(CCC1OC(=O)C4CCCCC4C(=O)[O-])C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+]
Names:
CICLOXOLONE SODIUM
disodium (2S,6aR,6aS,10S)-10-[(1R,2S)-2-carboxylatocyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
Registries:
PubChem CID 60912
PubChem ID 197143
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|