(1S)-3-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol

Properties Image MNX_ID MNXM1369720 reference chebi:94743 formula C27H44O2 global charge 0 mol weight 400.647 InChIKey JWUBBDSIWDLEOM-DLBXBJKMSA-N InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/t20-,23+,24-,25+,27-/m1/s1 SMILES C=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11?,22-12?/t20-,23+,24-,25+,27-/m1/s1 SMILES (mnx) [CH2:1]=[C:19]1[CH2:10][CH2:13][C@H:23]([OH:28])[CH2:18][C:22]1=[CH:12][CH:11]=[C:21]1[CH2:9][CH2:7][CH2:17][C@:27]2([CH3:5])[C@@H:24]([C@H:20]([CH3:2])[CH2:8][CH2:6][CH2:16][C:26]([CH3:3])([CH3:4])[OH:29])[CH2:14][CH2:15][C@@H:25]12

Parent-child relations graph

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