(-)-Spruceanol

Properties Image MNX_ID MNXM30357 reference lipidmapsM:LMPR0104100003 formula C20H28O2 global charge 0 mol weight 300.442 InChIKey KNSRUHGNXCWGHF-CMKODMSKSA-N InChI InChI=1S/C20H28O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17-18,21-22H,1,7-10H2,2-5H3/t17-,18-,20+/m0/s1 SMILES C=CC1=C2CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)C2=CC(O)=C1C MNX internals InChI (mnx) InChI=1/C20H28O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17-18,21-22H,1,7-10H2,2-5H3/t17-,18-,20+/m0/s1 SMILES (mnx) [CH2:1]=[CH:6][C:13]1=[C:14]2[CH2:7][CH2:8][C@H:17]3[C:19]([CH3:3])([CH3:4])[C@@H:18]([OH:22])[CH2:9][CH2:10][C@:20]3([CH3:5])[C:15]2=[CH:11][C:16]([OH:21])=[C:12]1[CH3:2]

Parent-child relations graph

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