7,8-Epoxy Vitamin D3

cas: 89231-90-3 — see every product listed under this CAS number, including other names

7,8-Epoxy Vitamin D3 (CAS 89231-90-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRM-V307797
cas89231-90-3
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Structural formula: {0} (CAS {1})

(1S,3Z)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-4-methylidenecyclohexan-1-ol (CAS 89231-90-3) is a chemical compound with the molecular formula C27H44O2 and a molecular weight of 400.6 g/mol. IUPAC name: (1S,3Z)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-4-methylidenecyclohexan-1-ol. InChIKey: WMYIIZNCOZEFKV-FIFMJTSSSA-N.

Identity
Molecular formulaC27H44O2
Molecular weight400.6 g/mol
IUPAC name(1S,3Z)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-4-methylidenecyclohexan-1-ol
InChIKeyWMYIIZNCOZEFKV-FIFMJTSSSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@]23[C@H](O3)/C=C\4/C[C@H](CCC4=C)O)C

Computed by PubChem (NCBI)

Synonyms: 7,8-epoxy-vitamin d3, orb3181220
Isomers (same molecular formula)
(1S,3Z)-3-[(2E)-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-methylidenecyclohexan-1-ol C27H44O2
[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate C27H44O2
trans-(1R,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol C27H44O2
(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C27H44O2
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C27H44O2
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C27H44O2
(1R,3Z)-3-[(2E)-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-methylidenecyclohexan-1-ol C27H44O2
(8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C27H44O2
(3S,9R,10S,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C27H44O2
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one C27H44O2
trans-(1R,3S,5E)-5-[(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-methylidenecyclohexane-1,3-diol C27H44O2
(6R)-6-[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-one C27H44O2

Also listed as

(S,Z)–3–(((1R,3aR,3'R,4R,7aR)–7a–Methyl–1–((R)–6–methylheptan–2–yl)octahydrospiro(indene–4,2'–oxiran)–3'–yl)methylene)–4–methylenecyclohexan–1–ol GLPBio CAS 89231-90-3
(S,Z)-3-(((1R,3aR,3'R,4R,7aR)-7a-Methyl-1-((R)-6-methylheptan-2-yl)octahydrospiro[indene-4,2'-oxiran]-3'-yl)methylene)-4-methylenecyclohexan-1-ol, 97% Fluorochem CAS 89231-90-3
7,8-Epoxy-vitamin D3 TRC CAS 89231-90-3
(S,Z)-3-(((1R,3AR,3'R,4R,7AR)-7A-METHYL-1-((R)-6-METHYLHEPTAN-2-YL)OCTAHYDROSPIRO[INDENE-4,2'-OXIRAN]-3'-YL)METHYLENE)-4-METHYLENECYCLOHEXAN-1-OL, 97%, 97% Chemat CAS 89231-90-3
Vitamin impurity 2, 98.02% MedChemExpress CAS 89231-90-3