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N-(4N-methylpiperazin-1-yl)-3.alpha.,7.beta.-dihydroxy-5.beta.-cholan-24-amide
SpectraBase Compound ID Bhd8g1Yex7B
InChI InChI=1S/C29H51N3O3/c1-19(5-8-26(35)30-32-15-13-31(4)14-16-32)22-6-7-23-27-24(10-12-29(22,23)3)28(2)11-9-21(33)17-20(28)18-25(27)34/h19-25,27,33-34H,5-18H2,1-4H3,(H,30,35)/t19-,20-,21+,22?,23+,24+,25-,27-,28-,29+/m0/s1
InChIKey JYJHVYWXVCWVEG-XVXFENHISA-N
Mol Weight 489.7 g/mol
Molecular Formula C29H51N3O3
Exact Mass 489.393043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4V9eIauy1I
Name N-(4N-methylpiperazin-1-yl)-3.alpha.,7.beta.-dihydroxy-5.beta.-cholan-24-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H51N3O3
InChI InChI=1S/C29H51N3O3/c1-19(5-8-26(35)30-32-15-13-31(4)14-16-32)22-6-7-23-27-24(10-12-29(22,23)3)28(2)11-9-21(33)17-20(28)18-25(27)34/h19-25,27,33-34H,5-18H2,1-4H3,(H,30,35)/t19-,20-,21+,22?,23+,24+,25-,27-,28-,29+/m0/s1
InChIKey JYJHVYWXVCWVEG-XVXFENHISA-N
Molecular Weight 489.745 g/mol
SMILES O[C@]1(C[C@@]2([C@@]([C@]3([C@@]([C@](C2)(O)[H])([C@@]2([C@](CC3)(C(CC2)[C@](CCC(NN2CCN(CC2)C)=O)(C)[H])C)[H])[H])[H])(CC1)C)[H])[H]
SPLASH splash10-00dr-0400900000-0f2d88ee60023c3b78f0
Source of Spectrum F2-45-2917-5b
Wiley ID 1689230