Tachysterol3

(1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol

Also Known As: Tachysterol 3|tachysterol3|tacalciol|previtamin D3|tachysterol_3|Previtamin D(3)|(6E)-tacalciol|Cholecalciferol EP Impurity E|Tachysterol3 (80%)|Cholecalciferol Impurity E|1H-Indole,4-methoxy-6-nitro|EINECS 241-561-3|(3beta,6E)-9,10-Secocholesta-5(10),6,8-trien-3-ol|EINECS 214-634-2|HY-130705A|(6E)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol|CHOLECALCIFEROL IMPURITY E [EP IMPURITY]|(3S,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol|(6E)-9,10-secocholesta-5(10),6,8-trien-3beta-ol|(1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol|(3beta,6Z)-9,10-Secocholesta-5(10),6,8-trien-3-ol|(3?,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol|(3b,6E)-9,10-Secocholesta-5(10),6,8-trien-3-ol|(6E)-9,10-Secocholesta-5(10),6,8-trien-3beta-ol,

Molecular Formula	C27H44O
Molecular Weight	384.3392 g/mol
LogP	7.619
Topological Polar Surface Area	20.23 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	7
Exact Mass	384.3392
Monoisotopic Mass	384.3392
Heavy Atoms	28
Complexity	622.1735

Chemical Identifiers

CAS Number	17592-07-3
SMILES	CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C