(20S) 3.alpha.,7.beta.-Diacetoxy-5.beta.-cholane O-24,20-lactone

SpectraBase Compound ID	Bj3WSDmGlEO
InChI	InChI=1S/C28H42O6/c1-16(29)32-19-8-11-26(3)18(14-19)15-22(33-17(2)30)25-20-6-7-23(27(20,4)12-9-21(25)26)28(5)13-10-24(31)34-28/h18-23,25H,6-15H2,1-5H3/t18-,19+,20-,21-,22-,23-,25-,26-,27-,28-/m0/s1
InChIKey	LCJFMPREOGABOY-IAYSALHYSA-N Google Search
Mol Weight	474.6 g/mol
Molecular Formula	C28H42O6
Exact Mass	474.298139 g/mol

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SpectraBase Spectrum ID	GqO8yj9LfCY
Name	(20S) 3.alpha.,7.beta.-Diacetoxy-5.beta.-cholane O-24,20-lactone
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H42O6
InChI	InChI=1S/C28H42O6/c1-16(29)32-19-8-11-26(3)18(14-19)15-22(33-17(2)30)25-20-6-7-23(27(20,4)12-9-21(25)26)28(5)13-10-24(31)34-28/h18-23,25H,6-15H2,1-5H3/t18-,19+,20-,21-,22-,23-,25-,26-,27-,28-/m0/s1
InChIKey	LCJFMPREOGABOY-IAYSALHYSA-N
Molecular Weight	474.638 g/mol
SMILES	[C@]12([C@]([C@]3([C@]([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])([H])C[C@@]3(OC(=O)C)[H])C)([H])CC1)[H])(CC[C@@]2([C@]1(OC(=O)CC1)C)[H])[H])C
SPLASH	splash10-0h00-0093000000-ffb765d0d32990757d1c
Source of Spectrum	E2-50-1332-0
Synonyms	Acetic acid [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetyloxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxo-2-oxolanyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetyloxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetoxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5S,7S,8R,9S,10S,13S,14S,17S)-7-acetyloxy-10,13-dimethyl-17-[(2S)-2-methyl-5-oxidanylidene-oxolan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID	1555957