Diane-35
[CAS# 60528-19-0]

Identification

• Name: Diane-35
• Synonyms: Diane; Diane-35; Shb 209 Ae
• Molecular Formula: C₄₄H₅₃ClO₆
• Molecular Weight: 713.35
• CAS Registry Number: 60528-19-0
• SMILES: [C@H]34[C@@H]([C@]2(C1[C@@H](C1)C(=O)C=C2C(=C3)Cl)C)CC[C@]5([C@H]4CC[C@]5(OC(=O)C)C(=O)C)C.[C@H]89[C@H]7[C@@H](C6=CC=C(O)C=C6CC7)CC[C@@]8([C@@](O)(CC9)C#C)C
• InChI: 1S/C24H29ClO4.C20H24O2/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h10-11,14-18H,5-9H2,1-4H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t14-,15+,16-,17-,18?,22-,23-,24-;16-,17-,18+,19+,20+/m01/s1
• InChIKey: RWYFURDDADFSHT-RBBHPAOJSA-N