3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide

Properties Image MNX_ID MNXM1368802 reference chebi:49195 formula C20H28O3 global charge 0 mol weight 316.441 InChIKey SPZLJXUKZRAIQP-KSYFULEYSA-N InChI InChI=1S/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1 SMILES C=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]2(C)CC[C@@H]4O)C1 MNX internals InChI (mnx) InChI=1/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1 SMILES (mnx) [CH2:1]=[CH:5][C@:18]1([CH3:2])[CH2:8][CH2:6][C@@H:13]2[C:12](=[CH:10][C@@H:14]3[C@@H:16]4[C@:19]2([CH3:3])[CH2:9][CH2:7][C@H:15]([OH:21])[C@:20]4([CH3:4])[C:17](=[O:22])[O:23]3)[CH2:11]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2