CAS: 106033-96-9 - Itrocinonide

Formula:C₂₉H₃₈F₂O₉

InChI:InChI=1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28-,29-/m0/s1

InChI key:InChIKey=GCELVROFGZYBHY-JUVXQCODSA-N

SMILES:O=C(OCC)OC(OC(=O)C12OC(OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC31C)CCC)C

Synonyms:
(1S)-1-[(Ethoxycarbonyl)oxy]ethyl (6α,11β,16α,17α)-16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate
(1S)-1-[(ethoxycarbonyl)oxy]ethyl (4aS,5S,6aS,6bS,8R,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylate
6alpha,9-Difluoro-11beta,16alpha,17-trihydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylic acid, ester with ethyl (S)-1-hydroxyethyl carbonate, cyclic (R)-16,17-acetal with butyraldehyde
Androsta-1,4-diene-17-carboxylic acid, 16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxo-, (1S)-1-[(ethoxycarbonyl)oxy]ethyl ester, (6α,11β,16α,17α)-
Androsta-1,4-diene-17-carboxylic acid, 16,17-[butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, [6α,11β,16α(R),17α,17(S)]-
Itrocinonide [INN]
Unii-2Zw8Nep6Pq