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3,26-Dihydroxycholest-5-ene-16,22-dione

View entire compound with spectra: 1 NMR, and 4 MS (GC)

3,26-Dihydroxycholest-5-ene-16,22-dione
SpectraBase Compound ID 4UCNbtloJZX
InChI InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3
InChIKey GDKGOXUWEBGZBY-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4O07BHtt5s
Name 3,26-Dihydroxycholest-5-ene-16,22-dione
CAS Registry Number 468-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3
InChIKey GDKGOXUWEBGZBY-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES OC1CCC2(C(=CCC3C2CCC2(C3CC(C2C(C(CCC(CO)C)=O)C)=O)C)C1)C
SPLASH splash10-01q9-2900300000-220ffaa991a8ab465256
Source of Spectrum AD-0-3946-0
Synonyms (3-beta,25R)-3,26-dihydroxycholest-5-ene-16,22-dione Cholest-5-ene-16,22-dione, 3,26-dihydroxy- 10,13-dimethyl-17-(6-methyl-7-oxidanyl-3-oxidanylidene-heptan-2-yl)-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one Cholest-5-ene-16,22-dione, 3,26-dihydroxy-, (3.beta.,25R)- 3-beta,26-dihydroxycholest-5-ene-12,22-dione 3-Hydroxy-17-(6-hydroxy-1,5-dimethyl-2-oxo-hexyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one 3-Hydroxy-17-(6-hydroxy-2-keto-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one 3-Hydroxy-17-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one 3beta,26-dihydroxycholest-5-ene-16,22-dione Cholest-5-ene-16,22-dione, 3,26-dihydroxy-, (3-beta,25R)- Cholest-5-ene-16,22-dione, 3-beta,26-dihydroxy-, (20S,25R)- Cholest-5-ene-16,22-dione, 3.beta.,26-dihydroxy-, (20S,25R)- Cryptogenin Cryptogenine Kryptogenin NSC 93751
Wiley ID 59479