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(20.xi.,22.xi.)-26,27-Dipropyl-cholest-5-ene-3.beta.,22,25-triol
SpectraBase Compound ID EPVRFvsvhMO
InChI InChI=1S/C33H60O3/c1-6-8-17-33(36,18-9-7-2)21-16-30(35)23(3)27-12-13-28-26-11-10-24-22-25(34)14-19-31(24,4)29(26)15-20-32(27,28)5/h23-30,34-36H,6-22H2,1-5H3/t23-,24?,25-,26-,27+,28-,29-,30?,31-,32+/m0/s1
InChIKey JGPFTRQJDPBOLX-ZAYXGHSCSA-N
Mol Weight 504.8 g/mol
Molecular Formula C33H60O3
Exact Mass 504.454246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCKGlmC3BDm
Name (20.xi.,22.xi.)-26,27-Dipropyl-cholest-5-ene-3.beta.,22,25-triol
Alternate Name(s) (2S)-6-butyl-2-[(1S,2S,5S,10R,11S,14R,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]decane-3,6-diol
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Formula C33H60O3
InChI InChI=1S/C33H60O3/c1-6-8-17-33(36,18-9-7-2)21-16-30(35)23(3)27-12-13-28-26-11-10-24-22-25(34)14-19-31(24,4)29(26)15-20-32(27,28)5/h23-30,34-36H,6-22H2,1-5H3/t23-,24?,25-,26-,27+,28-,29-,30?,31-,32+/m0/s1
InChIKey JGPFTRQJDPBOLX-ZAYXGHSCSA-N
Molecular Weight 504.840 g/mol
SMILES O[C@]1(CC[C@]2(C(CC[C@]3([C@]4([C@@]([C@@]([C@@](C(CCC(O)(CCCC)CCCC)O)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-001i-0900100000-5ff1cbb8adda681a1b73
Source of Spectrum F-47-3766-9
Wiley ID 1399656