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2'H-Cholest-2-eno[3,2-c]pyrazole, 4-methyl-, (5.alpha.)-
SpectraBase Compound ID J9wTTfmulEf
InChI InChI=1S/C29H48N2/c1-18(2)8-7-9-19(3)23-12-13-25-22-10-11-24-20(4)27-21(17-30-31-27)16-29(24,6)26(22)14-15-28(23,25)5/h17-20,22-26H,7-16H2,1-6H3,(H,30,31)/t19-,20?,22+,23-,24+,25+,26+,28-,29+/m1/s1
InChIKey ZUNONRQUGUKALW-JNRJFNDXSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H48N2
Exact Mass 424.38175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiHnGGfOcuM
Name 2'H-Cholest-2-eno[3,2-c]pyrazole, 4-methyl-, (5.alpha.)-
Alternate Name(s) (1R,3aS,3bS,5aS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-6,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole (3,2-c)pyrazolyl,4-methyl,5.alpha.-cholestane
CAS Registry Number 56247-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48N2
InChI InChI=1S/C29H48N2/c1-18(2)8-7-9-19(3)23-12-13-25-22-10-11-24-20(4)27-21(17-30-31-27)16-29(24,6)26(22)14-15-28(23,25)5/h17-20,22-26H,7-16H2,1-6H3,(H,30,31)/t19-,20?,22+,23-,24+,25+,26+,28-,29+/m1/s1
InChIKey ZUNONRQUGUKALW-JNRJFNDXSA-N
Molecular Weight 424.717 g/mol
SMILES [nH]1ncc2c1C([C@@]1(CC[C@@]3([C@@]([C@]1(C2)C)(CC[C@@]1([C@](CC[C@@]31[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])C
SPLASH splash10-0ab9-1900500000-544edaab02c5ecb6160c
Source of Spectrum AC-71-4028-2
Wiley ID 1379502