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(20S,22S)-3.beta.,16.beta.-Dibutyryloxycholestane-20,22-diol
SpectraBase Compound ID 1ZBd0BYhmPG
InChI InChI=1S/C35H60O6/c1-8-10-30(37)40-24-16-18-33(5)23(20-24)13-14-25-26(33)17-19-34(6)27(25)21-28(41-31(38)11-9-2)32(34)35(7,39)29(36)15-12-22(3)4/h22-29,32,36,39H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,32-,33-,34-,35-/m0/s1
InChIKey FLXFWLZBHOFCFB-YBARKUSOSA-N
Mol Weight 576.9 g/mol
Molecular Formula C35H60O6
Exact Mass 576.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31bgMTzVUO
Name (20R,22R)-3.beta.,16.beta.-Dibutyryloxycholestane-20,22-diol
Alternate Name(s) (3beta,16beta,22R)-16-(butyryloxy)-20,22-dihydroxycholestan-3-yl butyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H60O6
InChI InChI=1S/C35H60O6/c1-8-10-30(37)40-24-16-18-33(5)23(20-24)13-14-25-26(33)17-19-34(6)27(25)21-28(41-31(38)11-9-2)32(34)35(7,39)29(36)15-12-22(3)4/h22-29,32,36,39H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,32-,33-,34-,35-/m0/s1
InChIKey FLXFWLZBHOFCFB-YBARKUSOSA-N
Molecular Weight 576.859 g/mol
SMILES O[C@@]([C@]([C@]1([C@](C[C@]2([C@@]3(CCC4C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(OC(=O)CCC)[H])[H])[H])(OC(=O)CCC)[H])[H])(C)O)(CCC(C)C)[H]
SPLASH splash10-002k-0097620000-44448c688d8477bf9aad
Source of Spectrum J-67-2720-15
Wiley ID 1569491