(-)-(4S,5S,10R)-12,18-dihydroxyabieta-8,11,13-trien-20-oic acid-18,20-lactone

Properties Image MNX_ID MNXM100825 reference chebi:70555 formula C20H26O3 global charge 0 mol weight 314.425 InChIKey KNTYFIJHKBRRFL-SXLOBPIMSA-N InChI InChI=1S/C20H26O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17,21H,4-8,11H2,1-3H3/t17-,19+,20-/m0/s1 SMILES CC(C)C1=CC2=C(C=C1O)[C@]13CCC[C@](C)(COC1=O)[C@@H]3CC2 MNX internals InChI (mnx) InChI=1/C20H26O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17,21H,4-8,11H2,1-3H3/t17-,19+,20-/m0/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[C:14]1=[C:16]([OH:21])[CH:10]=[C:15]2[C:13](=[CH:9]1)[CH2:5][CH2:6][C@H:17]1[C@:19]3([CH3:3])[CH2:7][CH2:4][CH2:8][C@:20]21[C:18](=[O:22])[O:23][CH2:11]3

Parent-child relations graph

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