5-BETA-CHOLESTANE-3-ALPHA,4-ALPHA,11-BETA,21-TETROL

SpectraBase Compound ID	2aQdO1E2llJ
InChI	InChI=1S/C27H48O4/c1-16(2)6-5-7-17(15-28)19-10-11-20-18-8-9-21-25(31)22(29)12-13-26(21,3)24(18)23(30)14-27(19,20)4/h16-25,28-31H,5-15H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-,24+,25-,26-,27+/m0/s1
InChIKey	ZLSJZDZXEWFTJS-IZSJLISRSA-N Google Search
Mol Weight	436.7 g/mol
Molecular Formula	C27H48O4
Exact Mass	436.35526 g/mol

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SpectraBase Spectrum ID	FZci37t0JkO
Name	(3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,11-triol
CAS Registry Number	109152-37-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H48O4
InChI	InChI=1S/C27H48O4/c1-16(2)6-5-7-17(15-28)19-10-11-20-18-8-9-21-25(31)22(29)12-13-26(21,3)24(18)23(30)14-27(19,20)4/h16-25,28-31H,5-15H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-,24+,25-,26-,27+/m0/s1
InChIKey	ZLSJZDZXEWFTJS-IZSJLISRSA-N
Molecular Weight	436.677 g/mol
SMILES	O[C@@]1([C@@]2([C@]3(CC[C@]([C@]([C@]3(CC[C@]2([C@]2([C@](C1)([C@](CC2)([C@](CO)(CCCC(C)C)[H])[H])C)[H])[H])[H])(O)[H])(O)[H])C)[H])[H]
SPLASH	splash10-014i-0001900000-fd4db686e90c50ffaeca
Source of Spectrum	J-52-3951-1
Synonyms	(3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-1-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,11-triol (3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-17-[(1R)-1-(hydroxymethyl)-5-methyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,11-triol (3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-17-[(2R)-1-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,11-triol
Wiley ID	1383642