Precalciferol (Previtamin D3) Related Compound 1

cas: 927822-17-1 — see every product listed under this CAS number, including other names

Precalciferol (Previtamin D3) Related Compound 1 (CAS 927822-17-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC5113
cas927822-17-1
sizeon request
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Structural formula: {0} (CAS {1})

[(1S)-3-[(Z)-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-yl] octanoate (CAS 927822-17-1) is a chemical compound with the molecular formula C35H58O2 and a molecular weight of 510.8 g/mol. IUPAC name: [(1S)-3-[(Z)-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-yl] octanoate. InChIKey: XTHWNUBVLBHLCC-DHMNTGMSSA-N.

Identity
Molecular formulaC35H58O2
Molecular weight510.8 g/mol
IUPAC name[(1S)-3-[(Z)-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-yl] octanoate
InChIKeyXTHWNUBVLBHLCC-DHMNTGMSSA-N
SMILESCCCCCCCC(=O)O[C@H]1CCC(=C(C1)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)C

Computed by PubChem (NCBI)

Synonyms: Pre-Vitamin D3 Octanoate (>80%), Pre-Vitamin D3 Octanoate, Previtamin D3 Impurity 89
Isomers (same molecular formula)
[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] octanoate C35H58O2

Also listed as

Pre-Vitamin D3 Octanoate (>80%) TRC CAS 927822-17-1