Norlestrin
[CAS# 8015-12-1]

Identification

• Name: Norlestrin
• Synonyms: Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S,17R)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Ethynyl-3-Keto-13-Methyl-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S,17R)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; (8R,9S,13S,14S,17R)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; [(8R,9S,10R,13S,14S,17R)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₄₂H₅₂O₅
• Molecular Weight: 636.87
• CAS Registry Number: 8015-12-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@H]1C(=CC(=O)CC1)CC2)CC[C@@]3([C@@](OC(=O)C)(CC4)C#C)C.[C@H]78[C@H]6[C@@H](C5=CC=C(O)C=C5CC6)CC[C@@]7([C@@](O)(CC8)C#C)C
• InChI: 1S/C22H28O3.C20H24O2/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)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/h1,13,17-20H,5-12H2,2-3H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t17-,18+,19+,20-,21-,22-;16-,17-,18+,19+,20+/m01/s1
• InChIKey: GEONECATAKDDLT-JDSZYESASA-N