11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,22Z-dien-9-one.

Properties Image MNX_ID MNXM23853 reference chebi:183606 formula C30H48O5 global charge 0 mol weight 488.709 InChIKey FROIKMSNOWQOFC-XZWVTAEMSA-N InChI InChI=1S/C30H48O5/c1-18(2)19(3)8-9-20(4)24-10-11-25(29(24,6)14-15-35-21(5)31)23-17-27(33)26-16-22(32)12-13-30(26,7)28(23)34/h8-9,17-20,22,24-27,32-33H,10-16H2,1-7H3/b9-8-/t19?,20-,22+,24-,25+,26-,27+,29-,30+/m1/s1 SMILES CC(=O)OCC[C@]1(C)[C@@H]([C@H](C)/C=C\C(C)C(C)C)CC[C@H]1C1=C[C@H](O)[C@H]2C[C@@H](O)CC[C@]2(C)C1=O MNX internals InChI (mnx) InChI=1/C30H48O5/c1-18(2)19(3)8-9-20(4)24-10-11-25(29(24,6)14-15-35-21(5)31)23-17-27(33)26-16-22(32)12-13-30(26,7)28(23)34/h8-9,17-20,22,24-27,32-33H,10-16H2,1-7H3/b9-8-/t19?,20-,22+,24-,25+,26-,27+,29-,30+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH:19]([CH3:3])/[CH:8]=[CH:9]\[C@@H:20]([CH3:4])[C@H:24]1[CH2:10][CH2:11][C@@H:25]([C:23]2=[CH:17][C@H:27]([OH:33])[C@H:26]3[CH2:16][C@@H:22]([OH:32])[CH2:12][CH2:13][C@:30]3([CH3:7])[C:28]2=[O:34])[C@:29]1([CH3:6])[CH2:14][CH2:15][O:35][C:21]([CH3:5])=[O:31]

Parent-child relations graph

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