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(20R,22E,24R)-25-Carbobutylsulfanyl-2-methylene-26,27-cyclo-22-dehydro-1.alpha.,24-dihydroxy-19-norvitamin D3
SpectraBase Compound ID JP9zRFchSNB
InChI InChI=1S/C32H48O4S/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)25-12-13-26-24(8-7-15-31(25,26)4)11-10-23-19-27(33)22(3)28(34)20-23/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,24-11+/t21-,25-,26+,27-,28-,29-,31-/m1/s1
InChIKey FAJLXVAEAZRBLB-UHGNYIEKSA-N
Mol Weight 528.8 g/mol
Molecular Formula C32H48O4S
Exact Mass 528.327331 g/mol
Enantiomer InChIKey FAJLXVAEAZRBLB-ROEDAVHKSA-N
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Source of Spectrum EP2714656A2

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Wiley Registry of Mass Spectral Data 2023

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