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24-Methylene-5.alpha.-cholest-24(28)-en-3.beta.,6.beta.,15.alpha.,16.beta.,26-pentol

View entire compound with spectra: 1 MS (GC)

24-Methylene-5.alpha.-cholest-24(28)-en-3.beta.,6.beta.,15.alpha.,16.beta.,26-pentol
SpectraBase Compound ID HZdyua6utLa
InChI InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)23-25(32)26(33)24-19-13-22(31)21-12-18(30)8-10-27(21,4)20(19)9-11-28(23,24)5/h16-26,29-33H,1,6-14H2,2-5H3/t16-,17+,18+,19-,20?,21?,22-,23+,24?,25-,26-,27-,28-/m1/s1
InChIKey SVUNQLBVSKAGOZ-KHNKTXEPSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H48O5
Exact Mass 464.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CfJ5A0mbvW
Name 24-Methylene-5.alpha.-cholest-24(28)-en-3.beta.,6.beta.,15.alpha.,16.beta.,26-pentol
Alternate Name(s) (3S,6R,8R,10R,13R,15R,16R,17R)-17-[(2R,6R)-7-hydroxy-6-methyl-5-methyleneheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol (3S,6R,8R,10R,13R,15R,16R,17R)-17-[(2R,6R)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol (3S,6R,8R,10R,13R,15R,16R,17R)-17-[(1R,5R)-6-hydroxy-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol (3S,6R,8R,10R,13R,15R,16R,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-5-methylidene-7-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol
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Formula C28H48O5
InChI InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)23-25(32)26(33)24-19-13-22(31)21-12-18(30)8-10-27(21,4)20(19)9-11-28(23,24)5/h16-26,29-33H,1,6-14H2,2-5H3/t16-,17+,18+,19-,20?,21?,22-,23+,24?,25-,26-,27-,28-/m1/s1
InChIKey SVUNQLBVSKAGOZ-KHNKTXEPSA-N
Molecular Weight 464.687 g/mol
SMILES O[C@]1(C2[C@@](C3CC[C@]4(C([C@]([C@@]([C@@]4([C@@](CCC([C@](CO)(C)[H])=C)(C)[H])[H])(O)[H])(O)[H])[C@@]3(C1)[H])C)(CC[C@@](C2)(O)[H])C)[H]
SPLASH splash10-01pk-0003900000-b6c28db7f73fe8799712
Source of Spectrum X2-50-798-3
Wiley ID 1602388