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(2R,5S,8'.beta.)-2-(tert-Butyl)-5-(de-A,B-8'-hydroxy-24'-norcholan-23'-yl)-1,3-dioxolan-4-one
SpectraBase Compound ID 2OIJH7dB3wI
InChI InChI=1S/C21H36O4/c1-13(8-11-17-18(23)25-19(24-17)20(2,3)4)14-9-10-15-16(22)7-6-12-21(14,15)5/h13-17,19,22H,6-12H2,1-5H3/t13-,14-,15?,16+,17?,19?,21-/m1/s1
InChIKey JHTCLBFEPPBFTF-SMQCFSQKSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Xf5NpAp9vD
Name (2R,5S,8'.beta.)-2-(tert-Butyl)-5-(de-A,B-8'-hydroxy-24'-norcholan-23'-yl)-1,3-dioxolan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-13(8-11-17-18(23)25-19(24-17)20(2,3)4)14-9-10-15-16(22)7-6-12-21(14,15)5/h13-17,19,22H,6-12H2,1-5H3/t13-,14-,15?,16+,17?,19?,21-/m1/s1
InChIKey JHTCLBFEPPBFTF-SMQCFSQKSA-N
Molecular Weight 352.515 g/mol
SMILES O[C@@]1(C2[C@@]([C@@]([C@@](CCC3C(OC(O3)C(C)(C)C)=O)(C)[H])(CC2)[H])(CCC1)C)[H]
SPLASH splash10-03di-0904000000-9f07e9fb26577a649057
Source of Spectrum QE-8-2750-8
Wiley ID 1557751