(3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol, ≥98%

cas: 4025-59-6 — see every product listed under this CAS number, including other names

(3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol, ≥98% (CAS 4025-59-6) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 25mg. Offered by: Chemat.

• 2D
• 3D

Cholesterol beta-epoxide is 5,6beta-epoxy-5beta-cholestan-3beta-ol. It derives from a hydride of a 5beta-cholestane.

Source: ChEBI

Identity

Molecular formula	C27H46O2
Molecular weight	402.7 g/mol
IUPAC name	(1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol
InChIKey	PRYIJAGAEJZDBO-DTLXENBRSA-N
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)C

Computed by PubChem (NCBI)

Synonyms: Cholesterol beta-epoxide, 5beta,6beta-Epoxycholestan-3beta-ol, (3-beta,5-beta,6-beta)-5,6-Epoxycholestan-3-ol, Cholestan-3-ol, 5,6-epoxy-, (3beta,5beta,6beta)-, 5Beta,6Beta-Epoxycholesterol, Cholesterol 5beta,6beta-epoxide, Cholesterol-5beta,6beta-epoxide, 5,6beta-epoxy-5beta-cholestan-3beta-ol, 5beta,6beta-epoxy-cholestanol, 5beta,6beta-epoxy-cholesterol

Related forms of this compound

(1S,2R,5S,7R,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol C₂₇H₄₆O₂

(1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol C₂₇H₄₆O₂

(1S,2R,5S,7R,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol C₂₇H₄₆O₂

Isomers (same molecular formula)

heptacosa-10,12-diynoic acid C₂₇H₄₆O₂

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-5-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₆O₂

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₆O₂

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₆O₂

(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol C₂₇H₄₆O₂

(3S,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol C₂₇H₄₆O₂

(2S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol C₂₇H₄₆O₂

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-[dideuterio(hydroxy)methyl]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₆O₂

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C₂₇H₄₆O₂