6β-Hydroxybudesonide[6β-羟基布地奈德]

88411-77-2

CAS Name

(6β,11β,16α)-16,17-[Butylidenebis(oxy)]-6,11,21-trihydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C₂₅H₃₄O₇

Molecular Mass

446.53

Other Names and Identifiers

InChI

InChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1

InChIKey

InChIKey=JBVVDXJXIDYDMF-GVTADUIWSA-N

SMILES

C(CO)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C([C@H](O)C4)=CC(=O)C=C5)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(O)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32)CCC)C

Other Names for this Substance