5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate

Properties Image MNX_ID MNXM38321 reference chebi:79703 formula C23H32O2 global charge 0 mol weight 340.507 InChIKey SQRBBVVZRKZEPF-OWNQEUAMSA-N InChI InChI=1S/C23H32O2/c1-5-23(25-16(2)24)15-12-20-18-10-9-17-8-6-7-13-21(17,3)19(18)11-14-22(20,23)4/h1,6-7,17-20H,8-15H2,2-4H3/t17-,18-,19+,20+,21+,22+,23+/m1/s1 SMILES C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C23H32O2/c1-5-23(25-16(2)24)15-12-20-18-10-9-17-8-6-7-13-21(17,3)19(18)11-14-22(20,23)4/h1,6-7,17-20H,8-15H2,2-4H3/t17-,18-,19+,20+,21+,22+,23+/m1/s1 SMILES (mnx) [CH:1]#[C:5][C@:23]1([O:25][C:16]([CH3:2])=[O:24])[CH2:15][CH2:12][C@H:20]2[C@@H:18]3[CH2:10][CH2:9][C@H:17]4[CH2:8][CH:6]=[CH:7][CH2:13][C@:21]4([CH3:3])[C@H:19]3[CH2:11][CH2:14][C@@:22]21[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0