10-(Benzoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Properties Image MNX_ID MNXM117377 reference chebi:184821 formula C37H50O5 global charge 0 mol weight 574.802 InChIKey RGCBYGZECVEZKC-UHFFFAOYSA-N InChI InChI=1S/C37H50O5/c1-22-13-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)21-26(38)30-34(5)16-15-28(42-31(39)24-11-9-8-10-12-24)33(3,4)27(34)14-17-36(30,35)7/h8-12,21-23,27-30H,13-20H2,1-7H3,(H,40,41) SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)C6=CC=CC=C6)C(C)(C)C5CCC43C)C2C1C MNX internals InChI (mnx) InChI=1/C37H50O5/c1-22-13-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)21-26(38)30-34(5)16-15-28(42-31(39)24-11-9-8-10-12-24)33(3,4)27(34)14-17-36(30,35)7/h8-12,21-23,27-30H,13-20H2,1-7H3,(H,40,41)/t22?,23?,27?,28?,29?,30?,34?,35?,36?,37? SMILES (mnx) [CH3:1][CH:22]1[CH2:13][CH2:18][C:37]2([C:32](=[O:40])[OH:41])[CH2:20][CH2:19][C:35]3([CH3:6])[C:25](=[CH:21][C:26](=[O:38])[CH:30]4[C:34]5([CH3:5])[CH2:16][CH2:15][CH:28]([O:42][C:31]([C:24]6=[CH:11][CH:9]=[CH:8][CH:10]=[CH:12]6)=[O:39])[C:33]([CH3:3])([CH3:4])[CH:27]5[CH2:14][CH2:17][C:36]43[CH3:7])[CH:29]2[CH:23]1[CH3:2]

Parent-child relations graph

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