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(25R)-7.alpha.,-26-Dihydroxycholest-4-en-3-one 26-acetate

View entire compound with spectra: 1 MS (GC)

(25R)-7.alpha.,-26-Dihydroxycholest-4-en-3-one 26-acetate
SpectraBase Compound ID 50JMZ2dU7GP
InChI InChI=1S/C29H46O4/c1-18(17-33-20(3)30)7-6-8-19(2)23-9-10-24-27-25(12-14-29(23,24)5)28(4)13-11-22(31)15-21(28)16-26(27)32/h15,18-19,23-27,32H,6-14,16-17H2,1-5H3/t18-,19-,23-,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey QXCZGJNBUGCZBF-ZNMXHXGVSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2E7gz90rqqk
Name (25R)-7.alpha.,-26-Dihydroxycholest-4-en-3-one 26-acetate
Alternate Name(s) (7alpha,25R)-7-hydroxy-3-oxocholest-4-en-27-yl acetate Acetic acid[(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl]ester Acetic acid[(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl]ester [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-7-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl]ethanoate [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl]acetate Acetic acid [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] acetate [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-7-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate
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Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-18(17-33-20(3)30)7-6-8-19(2)23-9-10-24-27-25(12-14-29(23,24)5)28(4)13-11-22(31)15-21(28)16-26(27)32/h15,18-19,23-27,32H,6-14,16-17H2,1-5H3/t18-,19-,23-,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey QXCZGJNBUGCZBF-ZNMXHXGVSA-N
Molecular Weight 458.683 g/mol
SMILES O[C@]1([C@]2([C@]3([C@@]([C@](CC3)([C@@](CCC[C@](COC(=O)C)(C)[H])(C)[H])[H])(CC[C@@]2([C@@]2(C(=CC(CC2)=O)C1)C)[H])C)[H])[H])[H]
SPLASH splash10-0f96-0000900000-31fd72c0e4316b101862
Source of Spectrum F-53-8134-1
Wiley ID 802458