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Cholest-5-en-3-ol, 7-(nitroamino)-, acetate (ester), (3.beta.,7.beta.)-
SpectraBase Compound ID Iz6lZbuHP7A
InChI InChI=1S/C29H48N2O4/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(35-20(4)32)16-21(28)17-26(27)30-31(33)34/h17-19,22-27,30H,7-16H2,1-6H3/t19-,22+,23-,24?,25?,26+,27?,28+,29-/m1/s1
InChIKey XGDZWDYFYBQEQY-JUZPOGOGSA-N
Mol Weight 488.7 g/mol
Molecular Formula C29H48N2O4
Exact Mass 488.361408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rgDgCSjmnU
Name Cholest-5-en-3-ol, 7-(nitroamino)-, acetate (ester), (3.beta.,7.beta.)-
Alternate Name(s) (3beta,7beta)-7-(2,2-dioxido-2lambda(1)-diazanyl)cholest-5-en-3-yl acetate 7.beta.-nitroamino-cholest-5-en-3.beta.yl acetate
CAS Registry Number 82423-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48N2O4
InChI InChI=1S/C29H48N2O4/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(35-20(4)32)16-21(28)17-26(27)30-31(33)34/h17-19,22-27,30H,7-16H2,1-6H3/t19-,22+,23-,24?,25?,26+,27?,28+,29-/m1/s1
InChIKey XGDZWDYFYBQEQY-JUZPOGOGSA-N
Molecular Weight 488.713 g/mol
SMILES N(N(=O)=O)[C@@]1(C2C3[C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CCC2[C@@]2(C(C[C@@](OC(=O)C)(CC2)[H])=C1)C)C)[H]
SPLASH splash10-001i-0009000000-475218414e8260b877aa
Source of Spectrum KC-1982-928-0
Wiley ID 1396934