3alpha-Corosolic acid

Properties Image MNX_ID MNXM117642 reference chebi:175734 formula C30H48O4 global charge 0 mol weight 472.71 InChIKey CAQINDLNYJDVHH-UHFFFAOYSA-N InChI InChI=1S/C30H48O4/c1-17-10-12-26(3)14-15-28(5)19(23(26)18(17)2)8-9-21-27(4)16-20(31)24(32)30(7,25(33)34)22(27)11-13-29(21,28)6/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34) SMILES CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1C MNX internals InChI (mnx) InChI=1/C30H48O4/c1-17-10-12-26(3)14-15-28(5)19(23(26)18(17)2)8-9-21-27(4)16-20(31)24(32)30(7,25(33)34)22(27)11-13-29(21,28)6/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17?,18?,20?,21?,22?,23?,24?,26?,27?,28?,29?,30? SMILES (mnx) [CH3:1][CH:17]1[CH2:10][CH2:12][C:26]2([CH3:3])[CH2:14][CH2:15][C:28]3([CH3:5])[C:19](=[CH:8][CH2:9][CH:21]4[C:27]5([CH3:4])[CH2:16][CH:20]([OH:31])[CH:24]([OH:32])[C:30]([CH3:7])([C:25](=[O:33])[OH:34])[CH:22]5[CH2:11][CH2:13][C:29]43[CH3:6])[CH:23]2[CH:18]1[CH3:2]

Parent-child relations graph

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