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Acetamide, N-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]-
SpectraBase Compound ID 5gfvQGfycI7
InChI InChI=1S/C29H49NO3/c1-18(17-30-20(3)31)7-6-8-19(2)27-26(33)16-25-23-10-9-21-15-22(32)11-13-28(21,4)24(23)12-14-29(25,27)5/h9,18-19,22-27,32-33H,6-8,10-17H2,1-5H3,(H,30,31)/t18-,19-,22+,23-,24+,25+,26+,27+,28+,29+/m1/s1
InChIKey CMFWHWGOTOIQFY-JFQLNVMGSA-N
Mol Weight 459.7 g/mol
Molecular Formula C29H49NO3
Exact Mass 459.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vhq2MngXts
Name Acetamide, N-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]-
Alternate Name(s) Cholestane, acetamide deriv. (25R)-26-Acetylamino-5-cholesten-3.beta.,16.beta.-diol N-[(3beta,16beta,25R)-3,16-dihydroxycholest-5-en-27-yl]acetamide
CAS Registry Number 71473-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO3
InChI InChI=1S/C29H49NO3/c1-18(17-30-20(3)31)7-6-8-19(2)27-26(33)16-25-23-10-9-21-15-22(32)11-13-28(21,4)24(23)12-14-29(25,27)5/h9,18-19,22-27,32-33H,6-8,10-17H2,1-5H3,(H,30,31)/t18-,19-,22+,23-,24+,25+,26+,27+,28+,29+/m1/s1
InChIKey CMFWHWGOTOIQFY-JFQLNVMGSA-N
Molecular Weight 459.715 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCC[C@](CNC(=O)C)(C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-0089-9740600000-9173361fc86d5aa957fa
Source of Spectrum K-112-2689-0
Wiley ID 1390284