Tachysterol

(1S)-3-[(E)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol

Also Known As: Tachysterol|tachysterol2|Tachysterin2|Provitamin D|Tachysterol (>90%)|TACHYSTEROL 2|Ergocalciferol EP Impurity E|TACHYSTEROL [MI]|EINECS 204-096-7|(6E,22E)-(3R)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol|ERGOCALCIFEROL IMPURITY E [EP IMPURITY]|ERGOCALCIFEROL IMPURITY E (EP IMPURITY)|(6E,22E)-(3S)-9,10-seco-5(10),6,8,22-ergostatetraen-3-ol|9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol, (3.beta.,6E,22E)-|(3S,6E,22E)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol|(3-beta,6E,22E)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol|(3|A,6E,22E)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol|(6E,22E)-9,10-Secoergosta-5(10),6,8,22-tetraen-3beta-ol|(6E,22E)-9,10-Secoergosta-5(10),6,8,22-tetrene-3beta-ol|3-CYCLOHEXEN-1-OL, 3-((1E)-2-((1R,3AR,7AR)-2,3,3A,6,7,7A-HEXAHYDRO-7A-METHYL-1-((1R,2E,4R)-1,4,5-TRIMETHYL-2-HEXEN-1-YL)-1H-INDEN-4-YL)ETHENYL)-4-METHYL-, (1S)-|9,10-SECOERGOSTA-5(10),6,8,22-TETRAEN-3-OL, (3BETA,6E,22E)-|(1S)-3-[(1E)-2-[(1R,3aR,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol|(1S)-3-[(1E)-2-[(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-1H-inden-4-yl]ethenyl]-4- methyl-3-cyclohexen-1-ol|(1S)-3-[(1E)-2-[(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-1H-inden-4-yl]ethenyl]-4-methyl-3-cyclohexen-1-ol|(S)-3-((E)-2-((1R,3aR,7aR)-1-((2R,5R,E)-5,6-Dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-3-en-1-ol|(S)-3-((E)-2-((1R,3aR,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-3-enol

Molecular Formula	C28H44O
Molecular Weight	396.3392 g/mol
LogP	7.641
Topological Polar Surface Area	20.23 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	6
Exact Mass	396.3392
Monoisotopic Mass	396.3392
Heavy Atoms	29
Complexity	691.10236

Chemical Identifiers

CAS Number	9061-77-2
SMILES	CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C