Ergocalciferol EP Impurity E

cas: 115-61-7 — see every product listed under this CAS number, including other names

Ergocalciferol EP Impurity E (CAS 115-61-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRM-E180105
cas115-61-7
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Structural formula: {0} (CAS {1})

(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 (CAS 115-61-7) is a chemical compound with the molecular formula C28H44O and a molecular weight of 396.6 g/mol. IUPAC name: (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. InChIKey: XQFJZHAVTPYDIQ-LETJEVNCSA-N.

Identity
Molecular formulaC28H44O
Molecular weight396.6 g/mol
IUPAC name(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
InChIKeyXQFJZHAVTPYDIQ-LETJEVNCSA-N
SMILESCC1=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

Computed by PubChem (NCBI)

Synonyms: Tachysterol, tachysterol2, Tachysterin2, (6E,22E)-(3R)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol, TACHYSTEROL [MI], (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)-, ERGOCALCIFEROL IMPURITY E [EP IMPURITY], ERGOCALCIFEROL IMPURITY E (EP IMPURITY), PROVITAMIN D
Related forms of this compound
(1S)-3-[(Z)-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 C28H44O
Isomers (same molecular formula)
(1R,1'aR,3'S,3aR,4R,6'aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methylspiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,1'-2,3,4,5,6,6a-hexahydro-1aH-cyclopropa[a]indene]-3'-ol C28H44O
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C28H44O
(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C28H44O
(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C28H44O
(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5R)-7,7,7-trideuterio-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C28H44O
(4aS,6aS,6aR,6bR,8aS,12aR,14aR,14bS)-4,4a,6a,8a,11,11-hexamethyl-5,6,6a,6b,7,8,9,10,12,12a,13,14,14a,14b-tetradecahydro-1H-picen-2-one C28H44O
(1S)-3-[(E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C28H44O

Also listed as

Ergocalciferol EP Impurity E (Tachysterol) Chemat Brand CAS 115-61-7
Ergocalciferol Impurity 5（Ergocalciferol EP Impurity E） Hubei YoungXin CAS 115-61-7
Tachysterol (>90%) TRC CAS 115-61-7
Tachysterol Biosynth CAS 115-61-7