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Chol-7-en-24-amide, 3-(formyloxy)-N,N-dimethyl-6-oxo-, (3.beta.,5.beta.)-
SpectraBase Compound ID 5apFy0h4ytQ
InChI InChI=1S/C27H41NO4/c1-17(6-9-25(31)28(4)5)20-7-8-21-19-15-24(30)23-14-18(32-16-29)10-12-27(23,3)22(19)11-13-26(20,21)2/h15-18,20-23H,6-14H2,1-5H3/t17-,18+,20-,21?,22?,23+,26-,27-/m1/s1
InChIKey DMADEGWEJMLUPE-HUUPUCGMSA-N
Mol Weight 443.6 g/mol
Molecular Formula C27H41NO4
Exact Mass 443.303559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSBovfVwd3P
Name Chol-7-en-24-amide, 3-(formyloxy)-N,N-dimethyl-6-oxo-, (3.beta.,5.beta.)-
Alternate Name(s) (3beta,5beta)-24-(dimethylamino)-6,24-dioxochol-7-en-3-yl formate 6,24-Dioxo-25-aza-5.beta.-cholest-7-en-3.beta.-yl formate
CAS Registry Number 81594-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41NO4
InChI InChI=1S/C27H41NO4/c1-17(6-9-25(31)28(4)5)20-7-8-21-19-15-24(30)23-14-18(32-16-29)10-12-27(23,3)22(19)11-13-26(20,21)2/h15-18,20-23H,6-14H2,1-5H3/t17-,18+,20-,21?,22?,23+,26-,27-/m1/s1
InChIKey DMADEGWEJMLUPE-HUUPUCGMSA-N
Molecular Weight 443.628 g/mol
SMILES C1=2C([C@]3(CC[C@@](C[C@]3(C(C2)=O)[H])(OC=O)[H])C)CC[C@]2(C1CC[C@@]2([C@@](CCC(N(C)C)=O)(C)[H])[H])C
SPLASH splash10-000i-9003200000-7bd624a8b72233182e44
Source of Spectrum B-34-2617-0
Wiley ID 1385775