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(20R)-26,27-Dipropyl-3.beta.,20,25-trihydroxy-cholest-5-en-22-one
SpectraBase Compound ID EfUBcKnwhuL
InChI InChI=1S/C33H56O4/c1-6-8-17-33(37,18-9-7-2)21-16-29(35)32(5,36)28-13-12-26-25-11-10-23-22-24(34)14-19-30(23,3)27(25)15-20-31(26,28)4/h10,24-28,34,36-37H,6-9,11-22H2,1-5H3/t24-,25-,26-,27-,28-,30-,31-,32+/m0/s1
InChIKey CICRFOZQRQGCHK-JGBQXQTDSA-N
Mol Weight 516.8 g/mol
Molecular Formula C33H56O4
Exact Mass 516.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESNKgwJA6Nu
Name (20R)-26,27-Dipropyl-3.beta.,20,25-trihydroxy-cholest-5-en-22-one
Alternate Name(s) (2R)-6-butyl-2,6-dihydroxy-2-[(1S,2R,5S,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]decan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56O4
InChI InChI=1S/C33H56O4/c1-6-8-17-33(37,18-9-7-2)21-16-29(35)32(5,36)28-13-12-26-25-11-10-23-22-24(34)14-19-30(23,3)27(25)15-20-31(26,28)4/h10,24-28,34,36-37H,6-9,11-22H2,1-5H3/t24-,25-,26-,27-,28-,30-,31-,32+/m0/s1
InChIKey CICRFOZQRQGCHK-JGBQXQTDSA-N
Molecular Weight 516.807 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](C(=O)CCC(O)(CCCC)CCCC)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-0k92-7923400000-565e9a1e093fa2740bc9
Source of Spectrum F-47-3765-7
Wiley ID 1401495