11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor-9,11-seco-5alpha-cholesta-7,22E-dien-9-one.

Properties Image MNX_ID MNXM24401 reference chebi:168087 formula C29H46O5 global charge 0 mol weight 474.682 InChIKey UQSMZCYYNIALNN-OSJJDKCPSA-N InChI InChI=1S/C29H46O5/c1-7-18(2)8-9-19(3)23-10-11-24(28(23,5)14-15-34-20(4)30)22-17-26(32)25-16-21(31)12-13-29(25,6)27(22)33/h8-9,17-19,21,23-26,31-32H,7,10-16H2,1-6H3/b9-8+/t18?,19-,21+,23-,24+,25-,26+,28-,29+/m1/s1 SMILES CCC(C)/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCOC(C)=O MNX internals InChI (mnx) InChI=1/C29H46O5/c1-7-18(2)8-9-19(3)23-10-11-24(28(23,5)14-15-34-20(4)30)22-17-26(32)25-16-21(31)12-13-29(25,6)27(22)33/h8-9,17-19,21,23-26,31-32H,7,10-16H2,1-6H3/b9-8+/t18?,19-,21+,23-,24+,25-,26+,28-,29+/m1/s1 SMILES (mnx) [CH3:1][CH2:7][CH:18]([CH3:2])/[CH:8]=[CH:9]/[C@@H:19]([CH3:3])[C@H:23]1[CH2:10][CH2:11][C@@H:24]([C:22]2=[CH:17][C@H:26]([OH:32])[C@H:25]3[CH2:16][C@@H:21]([OH:31])[CH2:12][CH2:13][C@:29]3([CH3:6])[C:27]2=[O:33])[C@:28]1([CH3:5])[CH2:14][CH2:15][O:34][C:20]([CH3:4])=[O:30]

Parent-child relations graph

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