4alpha-carboxy-stigmasta-7,24(24(1))-dien-3beta-ol

Properties Image MNX_ID MNXM10250 reference chebi:142919 formula C30H47O3 global charge -1 mol weight 455.703 InChIKey PLFNGFVQAIAQFS-HHZIVNGQSA-M InChI InChI=1S/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/p-1/b20-7-/t19-,22-,23+,24+,25+,26+,27+,29-,30-/m1/s1 SMILES C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C(=O)[O-])[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/b20-7-/t19-,22-,23+,24+,25+,26+,27+,29-,30-/m1/s1 SMILES (mnx) [CH3:1]/[CH:7]=[C:20](/[CH2:9][CH2:8][C@@H:19]([CH3:4])[C@H:22]1[CH2:12][CH2:13][C@H:23]2[C:21]3=[CH:10][CH2:11][C@H:25]4[C@H:27]([C:28](=[O:32])[OH:33])[C@@H:26]([OH:31])[CH2:15][CH2:17][C@:30]4([CH3:6])[C@H:24]3[CH2:14][CH2:16][C@:29]12[CH3:5])[CH:18]([CH3:2])[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0