neoabietadiene

Properties Image MNX_ID MNXM5848 reference chebi:29651 formula C20H32 global charge 0 mol weight 272.476 InChIKey MRRHSEMHYVQUFK-CMKODMSKSA-N InChI InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1 SMILES CC(C)=C1C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 MNX internals InChI (mnx) InChI=1/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1 SMILES (mnx) [CH3:1][C:14]([CH3:2])=[C:15]1[CH2:7][CH2:9][C@H:17]2[C:16](=[CH:13]1)[CH2:8][CH2:10][C@H:18]1[C:19]([CH3:3])([CH3:4])[CH2:11][CH2:6][CH2:12][C@:20]21[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0