3-Hydroxy-14,15-Secoestra-1,3,5(10)-Trien-15-Yn-17-One
[CAS# 117144-19-1]

Identification

• Name: 3-Hydroxy-14,15-Secoestra-1,3,5(10)-Trien-15-Yn-17-One
• Synonyms: 2-Phenanthrenemethanol, Alpha-(Ethynyl-13-C2)-1,2,3,4,4A,9,10,10A-Octahydro-7-Hydroxy-2-Methyl-, (2S-(2Alpha(S*),4Aalpha,10Abeta))-; 3-Hydroxy-14,15-Secoestra-1,3,5(10)-Trien-15-Yn-17-One
• Molecular Formula: C₁₈H₂₂O₂
• Molecular Weight: 272.36
• CAS Registry Number: 117144-19-1
• SMILES: [C@@]1(C[C@H]3[C@H](CC1)C2=C(C=C(C=C2)O)CC3)([C@@H](O)[13C]#[13CH])C
• InChI: 1S/C18H22O2/c1-3-17(20)18(2)9-8-16-13(11-18)5-4-12-10-14(19)6-7-15(12)16/h1,6-7,10,13,16-17,19-20H,4-5,8-9,11H2,2H3/t13-,16-,17-,18-/m0/s1/i1+1,3+1
• InChIKey: PGUHDYUGHBUNJJ-UWLLGFRQSA-N